# base

baseid: T
commonname: thymine
basedefinition:
A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.


baseid: U
commonname: uracil
basedefinition:
A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription.


baseid: O
commonname: other
basedefinition:
A DNA base category encompassing entities which do not fit into the A/T/G/C nucleobases of the ChEBI ontology.


# covmod

symbol: 0
netcharge: [0]
definition:
A pyrimidine nucleoside derived from the formal condensation of the N(1)-nitrogen of 4-amino-5-methylcytosine with 2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranose.


symbol: 0
netcharge: [0]
definition:
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group.


symbol: 0
netcharge: [0]
definition:
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a hydroxymethyl group.


symbol: 0
netcharge: [0]
definition:
A nucleoside analogue that is the 5,6-dihydroxy-5,6-dihydro derivative of cytidine. It is a metabolite produced by the bacterium Mycoplasma genitalium.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 3 is substituted by a methyl group.


symbol: 0
netcharge: [0]
definition:
A monothioacetal that consists of cytosine having a (2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl moiety attached at position 1. An inhibitor of HIV-1 reverse transcriptase, it is used as an antiviral in the treatment of AIDS and hepatitis B.


symbol: 0
netcharge: [0]
definition:
A nucleoside antibiotic with anthelminthic properties that is isolated from Streptomyces longissimus.


symbol: 0
netcharge: [0]
definition:
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a carboxy group.


symbol: 0
netcharge: [0]
definition:
A pyrimidine nucleoside in which cytosine is attached to ribofuranose via a beta-N(1)-glycosidic bond.


symbol: 0
netcharge: [0]
definition:
An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections.


symbol: 0
netcharge: [0]
definition:
A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond. Used mainly in the treatment of leukaemia, especially acute non-lymphoblastic leukaemia, cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. It also has antiviral and immunosuppressant properties.


symbol: 0
netcharge: [0]
definition:
An N-glycosyl compound that is cytosine in which the proton at position 1 is replaced by a beta-D-glucuronosyl residue.


symbol: 0
netcharge: [0]
definition:
An N-glycosyl compound that is cytosine in which the proton at position 1 is replaced by a beta-D-xylosyl residue.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group.


symbol: 0
netcharge: [0]
definition:
A beta-D-glucoside derived from formal condensation of the hydroxy group of 5-(hydroxymethyl)cytosine with the anomeric hydroxy group of D-glucopyranose.


symbol: 0
netcharge: [0]
definition:
A CDP-4-dehydro-3,6-dideoxy-D-glucose in which the anomeric centre of the pyranose fragment has alpha-configuration.


symbol: 0
netcharge: [0]
definition:
A CDP-3,6-dideoxy-D-glucose in which the anomeric centre of the pyranose fragment has alpha-configuration.


symbol: 0
netcharge: [0]
definition:
A CDP-4-dehydro-6-deoxy-D-glucose in which the anomeric centre of the deoxyglucose fragment has alpha-configuration.


symbol: 0
netcharge: [0]
definition:
A CDP-3,6-dideoxy-D-mannose in which the anomeric centre of the sugar component has alpha-configuration.


symbol: 0
netcharge: [0]
definition:
A CDP-sugar having aldehydo-D-ribose as the sugar component with the CDP moiety attached at position 5.


symbol: 0
netcharge: [0]
definition:
A nucleotide conjugate consisting of CDP joined at the 1L-position of myo-inositol via a diphosphate linkage.


symbol: 0
netcharge: []
definition:
A pyrimidine nucleotide-sugar having CDP as the nucleotide component attached to an unspecified sugar via an anomeric diphosphate linkage.


symbol: 0
netcharge: [0]
definition:
A nucleotide conjugate consisting of CDP joined at the 1-position of 2,3-bis-O-(geranylgeranyl)-sn-glycerol via a diphosphate linkage.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside 5'-diphosphate that is 2'-deoxycytidine 5'-diphosphate (CDP) substituted by a hydroxymethyl group at position 5.


symbol: 0
netcharge: [0]
definition:
A member of the class of  phosphocholines that is the chloine ester of CDP. It is an intermediate obtained in the biosynthetic pathway of structural phospholipids in cell membranes.


symbol: 0
netcharge: [0]
definition:
A pyrimidine ribonucleoside 5'-monophosphate that is CMP in which the 2-keto group on the cytosine ring is replaced by an epsilon-L-lysyl residue.


symbol: 0
netcharge: [0]
definition:
A 2',3'-cyclic pyrimidine nucleotide that is CMP in which the hydroxy groups at the 2' and 3' positions have been converted to the corresponding cyclic phosphate.


symbol: 0
netcharge: [0]
definition:
A cytidine 5'-phosphate obtained by formal condensation of the phosphate group of CMP with the phosphono group of phosphonoformic acid.


symbol: 0
netcharge: []
definition:
A pyrimidine nucleotide-sugar having CMP as the nucleotide component attached to an unspecified sugar via an anomeric diphosphate linkage.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside 5'-triphosphate that is 2'deoxycytidine-5'-triphosphate substituted by a hydroxymethyl group at position 5.


symbol: 0
netcharge: [0]
definition:
An organic triphosphate formed by condensation between the gamma-phospho group of cytidine 5'-triphosphate and ethanol.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 3-hydroxypropyl group.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is thymine which is substituted at position 6 by a [(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl group.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside that is the L-enantiomer of thymine. A synthetic thymidine nucleoside analogue with activity against HBV DNA polymerase.


symbol: 0
netcharge: [0]
definition:
An N-substituted putrescine that is thymine in which a hydrogen of the methyl group has been replaced by one of the amino groups of putrescine. It replaces about half of the thymine residues in the DNA of bacetriophage phiW-14.


symbol: 0
netcharge: [0]
definition:
A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase


symbol: 0
netcharge: [0]
definition:
A carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 1-pro-S, 3-pro-S, and 4-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is thymine which is substituted at positions 1 and 6 by a (2-hydroxyethoxy)methyl group and a phenylsulfanyl group, respectively.


symbol: 0
netcharge: [0]
definition:
A carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 2-pro-S, 4-pro-S and 5-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively.


symbol: 0
netcharge: [0]
definition:
A pyrimidone resulting from the formal oxidation of the alcoholic hydroxy group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major one-electron photooxidation product of thymine in oligodeoxynucleotides.


symbol: 0
netcharge: [0]
definition:
A member of the class of 6-aminopurines that is 2-fluoroadenine carrying additional 2-chloro-3,4,5-trimethoxybenzyl and pent-4-yn-1-yl substituents at positions 8 and 9 respectively.


symbol: 0
netcharge: [0]
definition:
A nucleoside monophosphate analogue derived from the formal condensation of the N(1)-nitrogen of adenine with 2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranose.


symbol: 0
netcharge: [0]
definition:
A 6-alkylaminopurine that is adenine where one of the hydrogens of the amino group is replaced by a hydroxymethyl group.


symbol: 0
netcharge: [0]
definition:
A nucleobase analogue that is adenine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group.


symbol: 0
netcharge: [0]
definition:
A nucleoside analogue that is adenosine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group.


symbol: 0
netcharge: [0]
definition:
An N-glycosyl compound that is N-benzyladenine in which an alpha-D-glucopyranosyl residue is attached at position N-9.


symbol: 0
netcharge: [0]
definition:
A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups.


symbol: 0
netcharge: [0]
definition:
A nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups.


symbol: 0
netcharge: [0]
definition:
A member of the class of 6-aminopurinnes that is adenine in which one of the exocyclic amino hydrogens is replaced by a hydroxy group.


symbol: 0
netcharge: [0]
definition:
A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.


symbol: 0
netcharge: [0]
definition:
A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.


symbol: 0
netcharge: [0]
definition:
A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond.


symbol: 0
netcharge: [0]
definition:
A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.


symbol: 0
netcharge: [0]
definition:
A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection.


symbol: 0
netcharge: [0]
definition:
An L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection.


symbol: 0
netcharge: [0]
definition:
A purine nucleoside in which hypoxanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond.


symbol: 0
netcharge: [0]
definition:
A member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively.


symbol: 0
netcharge: [0]
definition:
A nucleoside phosphate that is oxetanocin A in which the hydroxy of the hydroxymethyl group attached to the carbon bonded to the oxetane oxygen has been converted to the corresponding dihydrogen phosphate.


symbol: 0
netcharge: [0]
definition:
An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection.


symbol: 0
netcharge: [0]
definition:
An N-glycosylzeatin that is cis-zeatin having an alpha-D-glucopyranosyl residue attached at position N-9.


symbol: 0
netcharge: [0]
definition:
An N-glycosylzeatin that is cis-zeatin having a beta-D-glucopyranosyl residue attached at position N-9.


symbol: 0
netcharge: [0]
definition:
An N-glycosylzeatin that is trans-zeatin having a beta-D-glucopyranosyl residue attached at position N-9.


symbol: 0
netcharge: [0]
definition:
A purine ribonucleoside 5'-triphosphate that is ATP substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group.


symbol: 0
netcharge: [0]
definition:
An N-glycosylzeatin that is cis-zeatin having a beta-D-glucopyranosyl residue attached at position N-7.


symbol: 0
netcharge: [0]
definition:
An N-glycosylzeatin that is zeatin in which the hydrogen attached to the nitrogen at position 9 of the adenine moiety is replaced by a beta-D-ribofuranosyl group.


symbol: 0
netcharge: [0]
definition:
A purine ribonucleoside 5'-monophosphate that is AMP substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group.


symbol: 0
netcharge: [0]
definition:
An N-glycosylzeatin that is trans-zeatin having an alpha-D-glucopyranosyl residue attached at position N-9.


symbol: 0
netcharge: [0]
definition:
A purine ribonucleoside 5'-diphosphate that is ADP substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group.


symbol: 0
netcharge: [0]
definition:
A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.


symbol: 0
netcharge: [0]
definition:
An N-glycosyldihydrozeatin in which the glycosyl fragment is an alpha-D-glucopyranosyl residue located at position 7.


symbol: 0
netcharge: [0]
definition:
An N-glycosyldihydrozeatin in which the glycosyl fragment is an alpha-D-glucopyranosyl residue located at position 9.


symbol: 0
netcharge: [0]
definition:
An N-glycosyldihydrozeatin consisting of dihydrozeatin carrying two alpha-D-glucosyl on the oxygen and the nitrogen at position 9 in the purine ring.


symbol: 0
netcharge: [0]
definition:
An N-glycosyl compound that is kinetin in which an alpha-D-glucopyranosyl residue is attached at position N-9.


symbol: 0
netcharge: [0]
definition:
A 6-alkylaminopurine that is 7H-purin-6-amine where one of the hydrogens of the amino group is replaced by a 4-hydroxy-3-methylbutyl group. It is an intermediate in the zeatin biosynthesis.


symbol: 0
netcharge: [0]
definition:
A beta-D-glucopyranoside with a 6-alkylamino-7-H-purin-7-yl substituent at the anomeric carbon atom.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is guanine in which the hydrogen at position 8 is replaced by an oxo group and in which the nitrogens at positions 7 and 9 each bear a hydrogen.


symbol: 0
netcharge: [0]
definition:
An alanine derivative consisting of alanine having a 6-oxo-6,9-dihydro-1H-purin-2-yl group attached to the amino function.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is  guanine substituted by a [(1,3-dihydroxypropan-2-yl)oxy]methyl group at position 9. Ganciclovir is an antiviral drug used to treat or prevent AIDS-related cytomegalovirus infections.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is  guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.


symbol: 0
netcharge: [0]
definition:
A member of the class of 2-aminopurines that is guanine in which the hydrogen at position 9 is substituted by a 4-hydroxy-3-(hydroxymethyl)but-1-yl group. An antiviral drug, it is administered topically for treatment of herpes labialis. A prodrug, famciclovir, is used for oral administration.


symbol: 0
netcharge: [0]
definition:
The L-valinyl ester of ganciclovir, into which it is rapidly converted by intestinal and hepatic esterases. It is a synthetic analogue of 2'-deoxyguanosine.


symbol: 0
netcharge: [0]
definition:
An  oxopurine that is  guanine with an oxo group at position 8 and a methyl substituent at position 7.


symbol: 0
netcharge: [0]
definition:
A purine nucleoside in which O-methylguanine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. Inhibits DNA synthesis and causes cell death; a prodrug of 9-beta-D-arabinofuranosylguanine (ara-G).


symbol: 0
netcharge: [0]
definition:
A 7-deazaguanosine ribonucleoside that has 7-carbamoyl-7-deazaguanine as the nucleobase. It is present in archaeal tRNA and has also been found in bacterial DNA.


symbol: 0
netcharge: [0]
definition:
A 3-methylguanine that is 3,9-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.


symbol: 0
netcharge: [0]
definition:
A 3-methylguanine that is 1,2,3,9-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 3.


symbol: 0
netcharge: [0]
definition:
A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.


symbol: 0
netcharge: [0]
definition:
A 7-methylguanine that is 1,2,3,7-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 7.


symbol: 0
netcharge: [0]
definition:
A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7.


symbol: 0
netcharge: [0]
definition:
A 7-methylguanine that is 7H-purine substituted by an amino group at position 2, a methyl group at position 7 and a hydroxy group at position 6.


symbol: 0
netcharge: [0]
definition:
A methylguanine that is guanine substituted by a methyl group at position 7. It is a metabolite obtained during the methylation of DNA.


symbol: 0
netcharge: [0]
definition:
A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is 1-methyl-7H-xanthine in which the hydrogen attached to the nitrogen at position 3 has been replaced by a propyl group.


symbol: 0
netcharge: []
definition:
A monomethylxanthine having the methyl group located at the 1-position. It is a metabolite of caffeine in humans.


symbol: 0
netcharge: []
definition:
A monomethylxanthine having the methyl group located at the 3-position. It is a metabolite of caffeine.


symbol: 0
netcharge: [0]
definition:
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (S)-configuration. It is the inactive optical enantiomer of (R)-lisofylline, an anti-inflammatory agent.


symbol: 0
netcharge: [0]
definition:
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus.


symbol: 0
netcharge: [0]
definition:
A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea.


symbol: 0
netcharge: [0]
definition:
A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.


symbol: 0
netcharge: [0]
definition:
A dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively.


symbol: 0
netcharge: [0]
definition:
A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.


symbol: 0
netcharge: [0]
definition:
A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine.


symbol: 0
netcharge: [0]
definition:
A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma.


symbol: 0
netcharge: [0]
definition:
An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.


symbol: 0
netcharge: [0]
definition:
An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.


symbol: 0
netcharge: [0]
definition:
An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by benzyloxymethyl, isopropyl, and benzyl groups, respectively.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is uracil which is substituted at positions 1, 5 and 6 by ethoxymethyl, isopropyl, and benzyl groups, respectively. A non-nucleoside inhibitor of HIV-1 reverse transcriptase, emivirine was an unsuccessful experimental agent for the treatment of HIV.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is uracil in which positions 1, 5, and 6 are substituted by ethoxymethyl, isopropyl, and phenylsulfanyl groups, respectively.


symbol: 0
netcharge: [0]
definition:
A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.


symbol: 0
netcharge: [0]
definition:
A benzyl ether that consists of acyclouridine bearing a 3-(benzyloxy)benzyl substituent at position 5.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is uracil which is substituted by a 2-hydroxyethoxymethyl group at position 1 and a benzyl group at position 5.


symbol: 0
netcharge: [0]
definition:
A pyrimidone that is uracil in which positions 1, 5, and 6 are substituted by ethoxymethyl, isopropyl, and cyclohexylsulfanyl groups, respectively.


symbol: 0
netcharge: [0]
definition:
A nucleoside analogue that is 2'-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group.


symbol: 0
netcharge: [0]
definition:
A member of the class of sulfamides that is sulfamide in which one of the amino groups has been substituted by a methyl group an an isopropyl group, while the other has been substituted by a 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]benzoyl group. An important BASF herbicide, not registered in Europe but sold in USA, Canada and several other countries to control weeds in a wide range of food crops. Often mixed with other products such as glyphosate.


symbol: 0
netcharge: [0]
definition:
An organofluorine compound that is 1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione substituted by a 4-chloro-3-({[2-methyl-1-oxo-1-(prop-2-en-1-yloxy)propan-2-yl]oxy}carbonyl)phenyl group at position 3. It is a herbicide which inhibits the protoporphyrinogen-oxidase enzyme in plant chloroplasts, resulting in rapid knockdown of various broadleaf and grass weeds.


symbol: 0
netcharge: [0]
definition:
A monocarboxylic acid resulting from the formal 1,4-addition of one of the amino groups of urea to methacrylic acid (the Z isomer), or by the hydrolytic ring cleavage of uracil


symbol: 0
netcharge: [0]
definition:
A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.


symbol: 0
netcharge: [0]
definition:
A member of the class of pyrimidones that is uracil substituted by chloro and (2-iminopyrrolidin-1-yl)methyl groups at positions 5 and 6 respectively. Used (as the hydrochloride salt) in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer.


symbol: 0
netcharge: [0]
definition:
A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond.


symbol: 0
netcharge: [0]
definition:
A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.


symbol: 0
netcharge: [0]
definition:
An alanine derivative that is L-alanine bearing a 5-fluorouracil-1-yl substituent at position 3. A more potent and selective AMPA receptor agonist (at hGluR1 and hGluR2) than AMPA itself (Ki = 14.7, 25.1, and 1820 nM for hGluR1, hGluR2 and hGluR5 respectively).


symbol: 0
netcharge: [0]
definition:
A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.


symbol: 0
netcharge: [0]
definition:
A phosphonic acid consisting of 1-cyclopentyluracil having a phosphomethoxy group at position 2 on the cyclopentyl ring with (1R,2R)-trans-stereochemistry.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside that is 2'-deoxyuridine in which the hydrogen at position 5 has been replaced by a 2-aminoethyl group. It is a thymidine hypermodification replacing 30% of thymidine in the DNA of the Pseudomonas phage M6.


symbol: 0
netcharge: [0]
definition:
A pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of N(alpha)-carbethoxyasparagine.


symbol: 0
netcharge: [-1]
definition:
A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of dihydroorotic acid.


symbol: 0
netcharge: [0]
definition:
An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxoethylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and glyoxal.


symbol: 0
netcharge: [0]
definition:
An aminouracil in which the ring hydrogens at positions 5 and 6 on uracil have been replaced by amino groups.


symbol: 0
netcharge: [0]
definition:
5-O-Phosphono-D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminopyrimidine-2,4(1H,3H)-dione.


symbol: 0
netcharge: [0]
definition:
An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxopropylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and methylglyoxal.


symbol: 0
netcharge: [0]
definition:
An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis.


symbol: 0
netcharge: [0]
definition:
An N-glycosyl compound that consists of 5,6-diaminouracil in which one of the hydrogens on the 6-amino function is substituted by a 5-phospho-beta-D-ribosyl residue.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside that is 5-hydroxymethyl-2'-deoxyuridine in which the hydroxymethyl group at position 5 has been formally converted to the corresponding 2-aminoethyl ether. It is a thymidine hypermodification replacing 40% of thymidine nucleotides in the Salmonellaphage ViI.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside composed of 2'-deoxyuridine having a 5-hydroxymethyl substituent.


symbol: 0
netcharge: [0]
definition:
A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase


# names

chebiname: 2'-deoxycytidine
nameid: CHEBI:15698
iupacname: [2'-deoxycytidine]
smiles: [Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1]
inchikey: [CKTSBUTUHBMZGZ-SHYZEUOFSA-N]
othernames:
['deoxycytidine', 'dcyd', 'dc', '4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1h)-one']

inchi:
[InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1]


chebiname: 4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methylcytosine
nameid: CHEBI:43697
iupacname: [4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methylpyrimidin-2(1H)-one]
smiles: [[H][C@]12OC[C@](CO)(O[C@H]1n1cc(C)c(N)nc1=O)[C@H]2O]
inchikey: [NELYIRACPIJATH-SZVQBCOZSA-N]
othernames:
['1-[(1s,3r,4r,7s)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylcytosine']

inchi:
[InChI=1S/C11H15N3O5/c1-5-2-14(10(17)13-8(5)12)9-6-7(16)11(3-15,19-9)4-18-6/h2,6-7,9,15-16H,3-4H2,1H3,(H2,12,13,17)/t6-,7+,9-,11+/m1/s1]


chebiname: 2'-deoxy-5,6-dihydroxy-5,6-dihydrocytidine
nameid: CHEBI:132169
iupacname: [2'-deoxy-5,6-dihydroxy-5,6-dihydrocytidine]
othernames: ['dc_glyc', "2'-deoxycytidine glycol"]
smiles: [C1(C(C(=NC(N1[C@@H]2O[C@H](CO)[C@H](C2)O)=O)N)O)O]
inchikey: [CBYMMQQFLSFSMF-QUOQFLJZSA-N]
inchi:
[InChI=1S/C9H15N3O6/c10-7-6(15)8(16)12(9(17)11-7)5-1-3(14)4(2-13)18-5/h3-6,8,13-16H,1-2H2,(H2,10,11,17)/t3-,4+,5+,6?,8?/m0/s1]


chebiname: lamivudine
nameid: CHEBI:63577
iupacname: [4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one]
smiles: [Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1]
inchikey: [JTEGQNOMFQHVDC-NKWVEPMBSA-N]
othernames:
["beta-l-3'-thia-2',3'-dideoxycytidine", "beta-l-2',3'-dideoxy-3'-thiacytidine", "2',3'-dideoxy-3'-thiacytidine", '3tc', "(-)-2'-deoxy-3'-thiacytidine", 'epivir', "3'-thia-2',3'-dideoxycytidine", '(-)-1-((2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine']

inchi:
[InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1]


chebiname: antelmycin
nameid: CHEBI:88275
iupacname: []
inchikey: [VQQSDVBOXQHCHU-SKPOXZENSA-N]
othernames:
['anthelmycin', 'antelmicina', 'nsc 337588', 'antelmycinum', '1-n-(2-o-(3-amino-3-deoxy-beta-d-glucopyranosyl)-4-amino-4-deoxy-d-glycero-d-galacto-d-gluco-beta-d-undecapyranosyl)cytosine', 'l 33876', 'antibiotic 33876', 'hikizimycin', 'antelmycine']

smiles:
[O1[C@]([C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](N)[C@H]2O)CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)([C@@H](N)[C@H](O)[C@@H](O)[C@@H]1N3C(=O)N=C(N)C=C3)[H]]

inchi:
[InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)/t5-,6-,8+,9+,10-,11-,12+,13-,14+,15+,16-,17+,18-,19-,20+/m1/s1]


chebiname: N(4)-acetylcytosine
nameid: CHEBI:146134
iupacname: [N-(2-oxo-1,2-dihydropyrimidin-4-yl)acetamide]
smiles: [O=C1NC=CC(=N1)NC(=O)C]
inchi: [InChI=1S/C6H7N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h2-3H,1H3,(H2,7,8,9,10,11)]
inchikey: [IJCKBIINTQEGLY-UHFFFAOYSA-N]
othernames:
['4-acetylamino-1,2-dihydro-2-pyrimidone', 'n-(1,2-dihydro-2-oxo-4-pyrimidinyl)acetamide', '4-(acetylamino)pyrimidine-2(1h)-one', 'n(4)-acetylcytosine', 'n-acetylcytosine']


chebiname: cytidine
nameid: CHEBI:17562
iupacname: [cytidine]
smiles: [Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1]
inchikey: [UHDGCWIWMRVCDJ-XVFCMESISA-N]
othernames:
['cytosine-1beta-d-ribofuranoside', '1beta-d-ribofuranosylcytosine', '4-amino-1beta-d-ribofuranosyl-2(1h)-pyrimidinone', 'cytosine riboside', '1-beta-d-ribofuranosylcytosine', 'zytidin', 'cytidin', '4-amino-1-beta-d-ribofuranosylpyrimidin-2(1h)-one', 'cyd', '4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone']

inchi:
[InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1]


chebiname: flucytosine
nameid: CHEBI:5100
iupacname: [4-amino-5-fluoropyrimidin-2(1H)-one]
smiles: [Nc1nc(=O)[nH]cc1F]
inchi: [InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)]
inchikey: [XRECTZIEBJDKEO-UHFFFAOYSA-N]
othernames:
['5-fluorocystosine', 'flucytosinum', 'flucytosina', '5-fluorocytosine', 'ancotil', '5-fc', 'ancobon (tn)']


chebiname: cytarabine
nameid: CHEBI:28680
iupacname: [4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one]
smiles: [Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1]
inchikey: [UHDGCWIWMRVCDJ-CCXZUQQUSA-N]
othernames:
['1-beta-d-arabinofuranosylcytosine', 'cytosine arabinoside', '4-amino-1-beta-d-arabinofuranosyl-2(1h)-pyrimidinone', 'arabinocytosine', 'cytarabinum', 'arabinoside c', 'ara-c', 'cytosine-1-beta-d-arabinofuranoside', 'citarabina', 'cytosine-beta-d-arabinofuranoside']

inchi:
[InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1]


chebiname: cytosylglucuronic acid
nameid: CHEBI:132133
iupacname: [4-amino-1-beta-D-glucopyranuronosylpyrimidin-2(1H)-one]
smiles: [O1[C@H](C(O)=O)[C@H]([C@H](O)[C@H]([C@@H]1N2C=CC(=NC2=O)N)O)O]
inchikey: [CHKIQPXDGYGCHW-YOWKYNACSA-N]
othernames:
['1-(beta-d-glucuronosyl)cytosine', 'pentopyranic acid', 'cytosyl-beta-d-glucuronic acid', '1-(beta-d-glucopyranosyluronic acid)cytosine']

inchi:
[InChI=1S/C10H13N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4-8,14-16H,(H,17,18)(H2,11,12,19)/t4-,5-,6+,7-,8+/m0/s1]


chebiname: 1-(beta-D-xylopyranosyl)cytosine
nameid: CHEBI:132134
iupacname: [4-amino-1-beta-D-xylopyranosylpyrimidin-2(1H)-one]
othernames: ['1-(beta-d-xylosyl)cytosine', 'cytosylxylopyranose']
smiles: [O1C[C@H]([C@H](O)[C@H]([C@@H]1N2C=CC(=NC2=O)N)O)O]
inchikey: [UGJBVRSUYCCUKX-PXBUCIJWSA-N]
inchi:
[InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(13)3-17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/m1/s1]


chebiname: 5-methyl-2'-deoxycytidine
nameid: CHEBI:47876
iupacname: [2'-deoxy-5-methylcytidine]
othernames: ['5-methyldeoxycytidine']
smiles: [Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N]
inchikey: [LUCHPKXVUGJYGU-XLPZGREQSA-N]
inchi:
[InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1]


chebiname: 5-(beta-D-glucosylmethyl)cytosine
nameid: CHEBI:131616
iupacname: [(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)methyl beta-D-glucopyranoside]
smiles: [[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)OCC2=CNC(N=C2N)=O)CO)O)O]
inchikey: [SBHSUMUTJOPRIK-HPFNVAMJSA-N]
othernames:
['5-beta-d-glucosylmethylcytosine', '5-gmc', 'beta-d-glucosyl-5-hydroxymethylcytosine', 'beta-glucosyl-5-hydroxymethylcytosine', '5-glucosylmethylcytosine']

inchi:
[InChI=1S/C11H17N3O7/c12-9-4(1-13-11(19)14-9)3-20-10-8(18)7(17)6(16)5(2-15)21-10/h1,5-8,10,15-18H,2-3H2,(H3,12,13,14,19)/t5-,6-,7+,8-,10-/m1/s1]


chebiname: 3'-CMP
nameid: CHEBI:53013
iupacname: [3'-cytidylic acid]
smiles: [Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1]
inchikey: [UOOOPKANIPLQPU-XVFCMESISA-N]
othernames:
["cytidine 3'-phosphate", "3'-cmp", "cytidine 3'-monophosphate", "3'-cytidylic acid", "cytidine-3'-monophosphate"]

inchi:
[InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1]


chebiname: CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose
nameid: CHEBI:70800
iupacname: [cytidine 5'-[3-(3,6-dideoxy-alpha-D-erythro-hexopyranosyl-4-ulose) dihydrogen diphosphate]]
smiles: [C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)CC1=O]
inchikey: [DATWFRMXXZBEPM-SNAICPSHSA-N]
othernames:
['cdp-3,6-dideoxy-d-erythro-hexos-4-ulose', 'cdp-4-dehydro-3,6-dideoxy-d-glucose', 'cytidine diphosphate-4-keto-3,6-dideoxyglucose']

inchi:
[InChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14-/m1/s1]


chebiname: CDP-3,6-dideoxy-alpha-D-glucose
nameid: CHEBI:70802
iupacname: [cytidine 5'-[3-(3,6-dideoxy-alpha-D-ribo-hexopyranosyl) dihydrogen diphosphate]]
smiles: [C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)C[C@@H]1O]
inchikey: [JHEDABDMLBOYRG-VZRUIPTFSA-N]
othernames:
['cdp-3,6-dideoxy-alpha-d-ribo-hexose', 'cdpparatose', 'cdp-3,6-dideoxy-d-glucose', 'cdp-alpha-d-paratose']

inchi:
[InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8-,9-,11-,12-,13-,14-/m1/s1]


chebiname: CDP-4-dehydro-6-deoxy-alpha-D-glucose
nameid: CHEBI:139396
iupacname: [cytidine 5'-[3-(6-deoxy-alpha-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate]]
othernames: ['cdp-4-dehydro-6-deoxy-d-glucose']
inchikey: [PUBYMNIINUUJLL-JPHISPRKSA-N]
smiles:
[C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H](C([C@H](O3)C)=O)O)O)(=O)O)(=O)O]

inchi:
[InChI=1S/C15H23N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H2,16,17,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1]


chebiname: CDP-4-dehydro-6-deoxy-D-glucose
nameid: CHEBI:17494
iupacname: [cytidine 5'-[3-(6-deoxy-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate]]
othernames: []
smiles: [C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)[C@@H](O)C1=O]
inchikey: [PUBYMNIINUUJLL-JOCQNMFKSA-N]
inchi:
[InChI=1S/C15H23N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H2,16,17,24)/t5-,6-,9-,10+,11-,12-,13-,14?/m1/s1]


chebiname: CDP-3,6-dideoxy-D-glucose
nameid: CHEBI:17338
iupacname: [cytidine 5'-[3-(3,6-dideoxy-D-ribo-hexopyranosyl) dihydrogen diphosphate]]
othernames: []
smiles: [C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)C[C@@H]1O]
inchikey: [JHEDABDMLBOYRG-WRAWDCBKSA-N]
inchi:
[InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8-,9-,11-,12-,13-,14?/m1/s1]


chebiname: CDP-alpha-D-glucose
nameid: CHEBI:28942
iupacname: [cytidine 5'-[3-(alpha-D-glucopyranosyl) dihydrogen diphosphate]]
othernames: ['cdp-d-glucose', 'cdp-glc']
inchikey: [CGPHZDRCVSLMCF-JZMIEXBBSA-N]
smiles:
[C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(=O)O)(=O)O]

inchi:
[InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1]


chebiname: CDP-4-dehydro-3,6-dideoxy-D-glucose
nameid: CHEBI:17817
iupacname: [cytidine 5'-[3-(3,6-dideoxy-D-erythro-hexopyranosyl-4-ulose) dihydrogen diphosphate]]
othernames: []
smiles: [C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)CC1=O]
inchikey: [DATWFRMXXZBEPM-DJVIQRSOSA-N]
inchi:
[InChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14?/m1/s1]


chebiname: CDP-3,6-dideoxy-alpha-D-mannose
nameid: CHEBI:88237
iupacname: [cytidine 5'-[3-(3,6-dideoxy-alpha-D-arabino-hexopyranosyl) dihydrogen diphosphate]]
inchikey: [JHEDABDMLBOYRG-LLWSESFUSA-N]
othernames:
['cdp-3,6-dideoxy-d-mannose', 'cdp-tyvelose', 'cdp-alpha-d-tyvelose', 'cytidylyldiphosphate-d-tyvelose', 'cdp-3,6-dideoxy-d-arabino-hexose']

smiles:
[C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@H](C[C@@H]([C@H](O3)C)O)O)(=O)O)(=O)O]

inchi:
[InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9-,11-,12-,13-,14-/m1/s1]


chebiname: CDP-alpha-D-abequose
nameid: CHEBI:70799
iupacname: [cytidine 5'-[3-(3,6-dideoxy-alpha-D-xylo-hexopyranosyl) dihydrogen diphosphate]]
othernames: []
smiles: [C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)C[C@H]1O]
inchikey: [JHEDABDMLBOYRG-YGBYUOMUSA-N]
inchi:
[InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7-,8-,9-,11-,12-,13-,14-/m1/s1]


chebiname: CDP-D-ribulose
nameid: CHEBI:138221
iupacname: []
othernames: []
smiles: [O(P(OP(OC[C@H]([C@H](C(CO)=O)O)O)(=O)O)(=O)O)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(N=C(C=C2)N)=O]
inchikey: [CPZOFDVOYWJRNZ-RXSOLEHHSA-N]
inchi:
[InChI=1S/C14H23N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,7-8,10-13,18,20-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t7-,8-,10+,11-,12-,13-/m1/s1]


chebiname: CDP-D-ribose
nameid: CHEBI:138225
iupacname: []
othernames: ['5-cytidyl-d-ribose', '5-cytidyl-aldehydo-d-ribose']
inchikey: [FCHBMOTWOURDNP-HRENORGGSA-N]
smiles:
[O(P(OP(OC[C@H]([C@H]([C@H](C([H])=O)O)O)O)(=O)O)(=O)O)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(N=C(C=C2)N)=O]

inchi:
[InChI=1S/C14H23N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-3,6-8,10-13,19-23H,4-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1]


chebiname: CDP-abequose
nameid: CHEBI:16049
iupacname: [cytidine 5'-[3-(3,6-dideoxy-D-xylo-hexopyranosyl) dihydrogen diphosphate]]
othernames: []
smiles: [C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)C[C@H]1O]
inchikey: [JHEDABDMLBOYRG-RIGMPVOTSA-N]
inchi:
[InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7-,8-,9-,11-,12-,13-,14?/m1/s1]


chebiname: CDP-3,6-dideoxy-D-mannose
nameid: CHEBI:17259
iupacname: [cytidine 5'-[3-(3,6-dideoxy-D-arabino-hexopyranosyl) dihydrogen diphosphate]]
othernames: ['cdp-tyvelose']
smiles: [C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@@H](O)C[C@@H]1O]
inchikey: [JHEDABDMLBOYRG-AFDCTPMMSA-N]
inchi:
[InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9-,11-,12-,13-,14?/m1/s1]


chebiname: CDP-D-glucose
nameid: CHEBI:35242
iupacname: [cytidine 5'-[3-(D-glucopyranosyl) dihydrogen diphosphate]]
othernames: []
inchikey: [CGPHZDRCVSLMCF-RDKQLNKOSA-N]
smiles:
[Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1]

inchi:
[InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14?/m1/s1]


chebiname: dCDP
nameid: CHEBI:28846
iupacname: [2'-deoxycytidine 5'-(trihydrogen diphosphate)]
smiles: [Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)c(=O)n1]
inchikey: [FTDHDKPUHBLBTL-SHYZEUOFSA-N]
othernames:
["2'-deoxycytidine 5'-diphosphate", 'dcdp', 'deoxycytidine diphosphate', 'd-1beta-ribofuranosylcytosine diphosphate', "2'-deoxycytidine diphosphate"]

inchi:
[InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1]


chebiname: CDP-1L-myo-inositol
nameid: CHEBI:62566
othernames: ['cdp-3d-myo-inositol']
inchikey: [FWZKVMBRYZSGFS-WRUQXNMMSA-N]
iupacname:
[5'-O-{hydroxy[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]phosphoryl}cytidine]

smiles:
[Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)n1]

inchi:
[InChI=1S/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1]


chebiname: CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol
nameid: CHEBI:50726
othernames: ['cdp-2,3-digeranylgeranyl sn-g-1-p']
inchikey: [DCAZOLWWPLSROK-DXHGDTBASA-N]
iupacname:
[5'-O-[{[{[(2S)-2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine]

smiles:
[CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C]

inchi:
[InChI=1S/C52H85N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h17-18,21-22,25-26,29-32,46-47,49-51,56-57H,11-16,19-20,23-24,27-28,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/b40-21+,41-22+,42-25+,43-26+,44-30+,45-31+/t46-,47+,49+,50+,51+/m0/s1]


chebiname: 2'-deoxy-5-hydroxymethyl-CDP
nameid: CHEBI:835
iupacname: [2'-deoxy-5-(hydroxymethyl)cytidine 5'-(trihydrogen diphosphate)]
smiles: [Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1]
inchikey: [RQKDPSTWKKMBPM-XLPZGREQSA-N]
othernames:
["diphosphoric acid mono-(5-hydroxymethyl-2'-deoxy-cytidin-5'-yl ester)", "2'-deoxy-5-hydroxymethylcytidine 5'-diphosphate", "2'-deoxy-5-hydroxymethylcytidine-5'-diphosphate"]

inchi:
[InChI=1S/C10H17N3O11P2/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(23-8)4-22-26(20,21)24-25(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1]


chebiname: CDP-choline
nameid: CHEBI:16436
iupacname: [5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine]
smiles: [C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O]
inchikey: [RZZPDXZPRHQOCG-OJAKKHQRSA-N]
othernames:
["cytidine 5'-diphosphoric choline", 'citidin difosfato de colina', 'cyticholine', "[2-cytidylate-o'-phosphonyloxyl]-ethyl-trimethyl-ammonium", 'cdp-colina', "cytidine 5'-(choline diphosphate)", "cytidine 5'-diphosphocholine", 'citicoline', 'citicolina', "cytidine 5'-(cholinyl pyrophosphate)", 'citicolinum', 'cytidindiphosphocholin']

inchi:
[InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1]


chebiname: CMP-N-glycoloyl-beta-neuraminic acid
nameid: CHEBI:18098
inchikey: [HOEWKBQADMRCLO-UIUGZIMDSA-N]
iupacname:
[cytidine 5'-[3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate]]

othernames:
['cmp-beta-neu5gc', 'cmp-n-glycolylneuraminate', "cytidine-5'-monophosphono-n-glycoloyllneuraminic acid", 'cmp-n-glycoloylneuraminate', 'cmp-neungc', 'cmp-neu5gc']

smiles:
[[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@H](O)[C@H](O)CO]

inchi:
[InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1]


chebiname: CMP-N-acetyl-beta-neuraminic acid
nameid: CHEBI:16556
inchikey: [TXCIAUNLDRJGJZ-BILDWYJOSA-N]
iupacname:
[cytidine 5'-(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate)]

othernames:
['cmp-nana', 'cmp-neunac', "cytidine-5'-monophosphate-5-n-acetylneuraminic acid", "cytidine-5'-monophospho-n-acetylneuraminic acid", 'cmp-beta-neu5ac', 'cmp acetylneuraminic acid', 'cmp-n-acetylneuraminate', 'cmp-sialic acid', 'cytidine monophosphate n-acetylneuraminic acid', 'cmp-neu5ac', "cytidine-5'-monophosphono-n-acetylneuraminic acid"]

smiles:
[[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@H](O)[C@H](O)CO]

inchi:
[InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1]


chebiname: CMP-N-acyl-beta-neuraminic acid
nameid: CHEBI:16788
iupacname: []
othernames: ['cmp-n-acylneuraminate']
inchi: []
inchikey: []
smiles:
[[H][C@]1(O[C@](C[C@H](O)[C@H]1NC([*])=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@@H](O)[C@@H](O)CO]


chebiname: CMP-N,N-diacetyllegionaminic acid
nameid: CHEBI:68683
othernames: []
inchikey: [XTZJKGIMUFZFBV-QBAABWDMSA-N]
iupacname:
[cytidine 5'-(5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate)]

smiles:
[[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@H](NC(C)=O)[C@@H](C)O]

inchi:
[InChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11+,12-,14-,15-,16-,17-,18+,19-,22-/m1/s1]


chebiname: CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid
nameid: CHEBI:131596
iupacname: [cytidine 5'-[(3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonyl) hydrogen phosphate]]
othernames: ['cmp-deaminoneuraminic acid', 'cmp-3-deoxy-d-glycero-beta-d-galacto-nononic acid', 'cmp-kdn']
inchikey: [SFLGTPJBQWRIMH-ZBOJUINDSA-N]
smiles:
[C1=CC(=NC(N1[C@@H]2O[C@H](COP(O[C@]3(C[C@H](O)[C@@H](O)[C@@](O3)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)(=O)O)[C@H]([C@H]2O)O)=O)N]

inchi:
[InChI=1S/C18H28N3O16P/c19-9-1-2-21(17(31)20-9)15-13(28)12(27)8(35-15)5-34-38(32,33)37-18(16(29)30)3-6(23)10(25)14(36-18)11(26)7(24)4-22/h1-2,6-8,10-15,22-28H,3-5H2,(H,29,30)(H,32,33)(H2,19,20,31)/t6-,7+,8+,10+,11+,12+,13+,14+,15+,18+/m0/s1]


chebiname: CMP-pseudaminic acid
nameid: CHEBI:63778
othernames: []
inchikey: [XTZJKGIMUFZFBV-STPXTTIVSA-N]
iupacname:
[cytidine 5'-[(5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonyl) hydrogen phosphate]]

smiles:
[[H][C@]1(O[C@](C[C@H](O)[C@@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@@H](NC(C)=O)[C@H](C)O]

inchi:
[InChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11-,12+,14-,15-,16+,17+,18-,19+,22+/m0/s1]


chebiname: CMP-3-deoxy-beta-D-manno-octulosonic acid
nameid: CHEBI:86284
iupacname: [cytidine 5'-[(3-deoxy-beta-D-manno-oct-2-ulopyranosonyl) hydrogen phosphate]]
othernames: ['cmp-beta-kdo', 'cmp-kdo', 'cmp-3-deoxy-d-manno-octulosonate']
inchikey: [YWWJKULNWGRYAS-UOVSKDHASA-N]
smiles:
[Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1]

inchi:
[InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1]


chebiname: CMP-3-deoxy-alpha-D-manno-octulosonic acid
nameid: CHEBI:18014
iupacname: [cytidine 5'-[(3-deoxy-alpha-D-manno-oct-2-ulopyranosonyl) hydrogen phosphate]]
othernames: ['cmp-kdo']
inchikey: [YWWJKULNWGRYAS-XKKDATLGSA-N]
smiles:
[[H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@H](O)CO]

inchi:
[InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1]


chebiname: CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid
nameid: CHEBI:131602
iupacname: [cytidine 5'-[(8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulopyranosonyl) hydrogen phosphate]]
othernames: ['cmp-kdo8n']
inchikey: [DRAKZHNWGXXUTP-XKKDATLGSA-N]
smiles:
[C1=CC(=NC(N1[C@@H]2O[C@H](COP(O[C@@]3(C[C@@H](O)[C@@H](O)[C@](O3)([C@H](O)CN)[H])C(=O)O)(=O)O)[C@H]([C@H]2O)O)=O)N]

inchi:
[InChI=1S/C17H27N4O14P/c18-4-7(23)13-10(24)6(22)3-17(34-13,15(27)28)35-36(30,31)32-5-8-11(25)12(26)14(33-8)21-2-1-9(19)20-16(21)29/h1-2,6-8,10-14,22-26H,3-5,18H2,(H,27,28)(H,30,31)(H2,19,20,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1]


chebiname: N(4)-methylcytidine 5'-monophosphate
nameid: CHEBI:74778
iupacname: [N-methylcytidine 5'-(dihydrogen phosphate)]
othernames: ['n(4)-methyl-cmp', "n(4)-methylcytidine 5'-phosphate"]
smiles: [CNc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1]
inchikey: [GTYSZZKMWYKWQR-ZOQUXTDFSA-N]
inchi:
[InChI=1S/C10H16N3O8P/c1-11-6-2-3-13(10(16)12-6)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1]


chebiname: N(4)-acetylcytidine 5'-monophosphate
nameid: CHEBI:75086
iupacname: [N-acetylcytidine 5'-(dihydrogen phosphate)]
othernames: ["n(4)-acetylcytidine 5'-phosphate"]
smiles: [CC(=O)Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1]
inchikey: [ZVZPSHDOUJPFEV-PEBGCTIMSA-N]
inchi:
[InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1]


chebiname: 5-methylcytidine 5'-monophosphate
nameid: CHEBI:74725
iupacname: []
othernames: ['5-methyl-cmp', '5-methylcytidylic acid', "5-methylcytidine 5'-phosphate"]
smiles: [Cc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)nc1N]
inchikey: [NJQONZSFUKNYOY-JXOAFFINSA-N]
inchi:
[InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1]


chebiname: N(3)-methylcytidine 5'-monophosphate
nameid: CHEBI:75083
iupacname: [3-methyl-3,4-dihydrocytidine 5'-(dihydrogen phosphate)]
othernames: ["n(3)-methyl-5'-cytidylic acid", "n(3)-methylcytidine 5'-phosphate"]
smiles: [Cn1c(=N)ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1=O]
inchikey: [ZEGVEFNYAXGPPR-ZOQUXTDFSA-N]
inchi:
[InChI=1S/C10H16N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,11,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1]


chebiname: 2'-O-methylcytidine 5'-monophosphate
nameid: CHEBI:44666
iupacname: [2'-O-methylcytidine 5'-(dihydrogen phosphate)]
othernames: ["2'-o-methylcytidine 5'-phosphate", "2'-o-methyl-cmp"]
smiles: [CO[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1ccc(N)nc1=O]
inchikey: [USRXKJOTSNCJMA-ZOQUXTDFSA-N]
inchi:
[InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1]


chebiname: lysidine monophosphate
nameid: CHEBI:83661
iupacname: [N(6)-[4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-2(1H)-ylidene]-L-lysine]
othernames: ["lysidine 5'-phosphate", "lysidine 5'-monophosphate"]
smiles: [N[C@@H](CCCCNc1nc(=N)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O]
inchikey: [RKOISILXSYNZKS-IINAIABHSA-N]
inchi:
[InChI=1S/C15H26N5O9P/c16-8(14(23)24)3-1-2-5-18-15-19-10(17)4-6-20(15)13-12(22)11(21)9(29-13)7-28-30(25,26)27/h4,6,8-9,11-13,21-22H,1-3,5,7,16H2,(H,23,24)(H2,17,18,19)(H2,25,26,27)/t8-,9+,11+,12+,13+/m0/s1]


chebiname: cytidine 5'-phosphate 2',3'-cyclic phosphate
nameid: CHEBI:41473
iupacname: []
smiles: [[H][C@]12OP(O)(=O)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)n1ccc(N)nc1=O]
inchikey: [IZJNKZMLZILGRK-XVFCMESISA-N]
othernames:
['pc>p', 'cyclo-cdp', "o(2'),o(3')-hydroxyphosphoryl-o(5')-phosphono-cytidine", "cmp 2',3'-cyclic phosphate"]

inchi:
[InChI=1S/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1]


chebiname: CMP-5'-phosphonoformic acid
nameid: CHEBI:131759
iupacname: [5'-O-[{[carboxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine]
othernames: ['phosphonoformyl-cmp']
smiles: [O=P(OP(C(O)=O)(=O)O)(O)OC[C@H]1O[C@@H](N2C(N=C(C=C2)N)=O)[C@@H]([C@@H]1O)O]
inchikey: [UKMKGKZFTWPAOJ-XVFCMESISA-N]
inchi:
[InChI=1S/C10H15N3O12P2/c11-5-1-2-13(9(16)12-5)8-7(15)6(14)4(24-8)3-23-27(21,22)25-26(19,20)10(17)18/h1-2,4,6-8,14-15H,3H2,(H,17,18)(H,19,20)(H,21,22)(H2,11,12,16)/t4-,6-,7-,8-/m1/s1]


chebiname: 2'-deoxy-5-hydroxymethyl-CTP
nameid: CHEBI:836
iupacname: [2'-deoxy-5-(hydroxymethyl)cytidine 5'-(tetrahydrogen triphosphate)]
smiles: [Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1]
inchikey: [DLHNIFPAUZVLLA-XLPZGREQSA-N]
othernames:
["2'-deoxy-5-hydroxymethylcytidine-5'-triphosphate", "2'-deoxy-5-hydroxymethylcytidine 5'-triphosphate"]

inchi:
[InChI=1S/C10H18N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1]


chebiname: ethyl-CTP
nameid: CHEBI:62909
iupacname: [cytidine 5'-(P(3)-ethyl trihydrogen triphosphate)]
smiles: [CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O]
inchikey: [SWMMQSSHWFJGEI-PEBGCTIMSA-N]
othernames:
['gamma-monoethyl cytidine triphosphate', 'ethyl cytidine triphosphate', 'gamma-ethyl cytidine triphosphate', 'monoethyl cytidine-triphosphate']

inchi:
[InChI=1S/C11H20N3O14P3/c1-2-24-29(18,19)27-31(22,23)28-30(20,21)25-5-6-8(15)9(16)10(26-6)14-4-3-7(12)13-11(14)17/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H2,12,13,17)/t6-,8-,9-,10-/m1/s1]


chebiname: cytidine 5'-monophosphate
nameid: CHEBI:17361
iupacname: [5'-cytidylic acid]
othernames: ['pc', "cytidine-5'-monophosphate", 'cytidylic acid', 'cytidylate', 'cmp']
smiles: [Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1]
inchikey: [IERHLVCPSMICTF-XVFCMESISA-N]
inchi:
[InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1]


chebiname: CDP
nameid: CHEBI:17239
iupacname: [cytidine 5'-(trihydrogen diphosphate)]
smiles: [Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1]
inchikey: [ZWIADYZPOWUWEW-XVFCMESISA-N]
othernames:
["cytidine 5'-diphosphoric acid", 'cytidine diphosphate', "cytidine, 5'-(trihydrogen pyrophosphate)", "cytidine 5'-pyrophosphate", 'cdp', "5'-cdp", "cytidine 5'-diphosphate", "cytidine-5'-diphosphate"]

inchi:
[InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1]


chebiname: CTP
nameid: CHEBI:17677
iupacname: [cytidine 5'-(tetrahydrogen triphosphate)]
smiles: [Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1]
inchikey: [PCDQPRRSZKQHHS-XVFCMESISA-N]
othernames:
['ctp', "5'-ctp", "cytidine-5'-triphosphate", 'h4ctp', "cytidine 5'-triphosphate", 'cytidine triphosphate']

inchi:
[InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1]


chebiname: cytidine 2'-phosphate
nameid: CHEBI:28507
iupacname: [2'-cytidylic acid]
othernames: ["cytidine 2'-monophosphate", "2'-cytidylic acid"]
smiles: [Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(O)(O)=O)c(=O)n1]
inchikey: [YQUAKORMLHPSLZ-XVFCMESISA-N]
inchi:
[InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1]


chebiname: 6-(1,3-dihydroxyisobutyl)thymine
nameid: CHEBI:41485
iupacname: [6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione]
smiles: [Cc1c(CC(CO)CO)[nH]c(=O)[nH]c1=O]
inchi: [InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)]
inchikey: [CLCPDSJUXHDRGX-UHFFFAOYSA-N]
othernames:
['dhbt', '6-[3-hydroxy-2-(hydroxymethyl)propyl]thymine', '6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-2,4(1h,3h)-pyrimidinedione']


chebiname: 6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine
nameid: CHEBI:45366
smiles: [Cc1c(C[C@]2(C)[C@H](CO)NC(=O)NC2=O)[nH]c(=O)[nH]c1=O]
inchikey: [KBBKHMIEEMSXSM-JVXZTZIISA-N]
iupacname:
[6-{[(4R,5R)-4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione]

othernames:
['6-{[4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1h,3h)-dione']

inchi:
[InChI=1S/C12H16N4O5/c1-5-6(13-10(20)15-8(5)18)3-12(2)7(4-17)14-11(21)16-9(12)19/h7,17H,3-4H2,1-2H3,(H2,13,15,18,20)(H2,14,16,19,21)/t7-,12+/m0/s1]


chebiname: telbivudine
nameid: CHEBI:63624
iupacname: [1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione]
smiles: [Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O]
inchikey: [IQFYYKKMVGJFEH-CSMHCCOUSA-N]
othernames:
['beta-l-thymidine', 'l-dt', 'epavudine', "2'-deoxy-l-thymidine", 'l-deoxythymidine', '1-(2-deoxy-beta-l-ribofuranosyl)-5-methyluracil', "beta-l-2'-deoxythymidine", 'ldt', 'l-thymidine']

inchi:
[InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1]


chebiname: stavudine
nameid: CHEBI:63581
iupacname: [1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione]
smiles: [Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O]
inchikey: [XNKLLVCARDGLGL-JGVFFNPUSA-N]
othernames:
['1-(2,3-dideoxy-beta-d-glycero-pent-2-enofuranosyl)thymine', 'stv', "2',3'-didehydro-3'-deoxythimidine", "3'-deoxy-2'-thymidinene", 'sanilvudine', 'estavudina', 'stavudinum', 'd4t']

inchi:
[InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1]


chebiname: thymidine
nameid: CHEBI:17748
iupacname: [thymidine]
smiles: [Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O]
inchikey: [IQFYYKKMVGJFEH-XLPZGREQSA-N]
othernames:
['deoxythymidine', "5-methyl-2'-deoxyuridine", "thymine 2'-deoxyriboside", "2'-deoxy-5-methyluridine", "2'-thymidine", "2'-deoxythymidine", 'dthd', '1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione', 't']

inchi:
[InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1]


chebiname: 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine
nameid: CHEBI:45586
smiles: [[H][C@@]12C[C@@]1(C[C@H](O)[C@H]2CO)n1cc(C)c(=O)[nH]c1=O]
inchikey: [XRMLXZVSFIBRRJ-PEFMBERDSA-N]
iupacname:
[1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hex-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione]

othernames:
['(1s,3s,4r,5s)-3-hydroxy-4-hydroxymethyl-1-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)bicyclo[3.1.0]hexane', 'south-methanocarbathymidine']

inchi:
[InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9-,12-/m0/s1]


chebiname: 1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine
nameid: CHEBI:43060
iupacname: [1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione]
smiles: [Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O]
inchikey: [HDMHBHNRWDNNCD-UHFFFAOYSA-N]
othernames:
['hept', '1-[(2-hydroxyethoxy)methyl]-6-phenylthiothymine', '1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine', '6-hept', 'hmptt', '1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine']

inchi:
[InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)]


chebiname: 1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine
nameid: CHEBI:46026
smiles: [[H][C@]12C[C@@]1(CO)[C@@H](O)C[C@@H]2n1cc(C)c(=O)[nH]c1=O]
inchikey: [NOWRLNPOENZFHP-ARHDFHRDSA-N]
iupacname:
[1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione]

othernames:
['1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione', 'north-methanocarbathymidine', "1-[(1's,2's,4's,5'r)-4'-hydroxy-5'-(hydroxymethyl)bicyclo[3.1.0]hexan-2'-yl]-5-methylpyrimidine-2,4(1h,3h)-dione"]

inchi:
[InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1]


chebiname: 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine
nameid: CHEBI:47628
iupacname: [8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine]
othernames: ['pu24fcl']
smiles: [C12=C(N=C(N1CCCC#C)CC3=C(C(=C(C(=C3)OC)OC)OC)Cl)C(=NC(=N2)F)N]
inchikey: [KCIOVTSUEXGUFJ-UHFFFAOYSA-N]
inchi:
[InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)]


chebiname: 9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-9H-purin-6-amine
nameid: CHEBI:43791
iupacname: [9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-9H-purin-6-amine]
smiles: [[H][C@]12OC[C@](COP(O)(O)=O)(O[C@H]1n1cnc3c(N)ncnc13)[C@H]2O]
inchikey: [OBTOXYBRQOXRBH-LRMGWDNHSA-N]
othernames:
['[(1r,3r,4r,7s)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate']

inchi:
[InChI=1S/C11H14N5O7P/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(17)11(23-10,1-21-6)2-22-24(18,19)20/h3-4,6-7,10,17H,1-2H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,10-,11-/m1/s1]


chebiname: N(6)-carbamoylmethyl-2'-deoxyadenosine
nameid: CHEBI:102719
iupacname: []
smiles: [N(C=1N=CN=C2C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)C3)CC(=O)N]
inchikey: [BLGGLLGDRXGJJC-LKEWCRSYSA-N]
othernames:
["n(6)-carbamoylmethyl-2'-deoxyadenosine", "n-(9beta-d-2'-deoxyribofuranosylpurin-6-yl)glycinamide", 'n(6)-(carbamoylmethyl)deoxyadenosine', 'n(6)-carbamoylmethyldeoxyadenosine']

inchi:
[InChI=1S/C12H16N6O4/c13-8(21)2-14-11-10-12(16-4-15-11)18(5-17-10)9-1-6(20)7(3-19)22-9/h4-7,9,19-20H,1-3H2,(H2,13,21)(H,14,15,16)/t6-,7+,9+/m0/s1]


chebiname: N-benzyl-9-(alpha-D-glucosyl)adenine
nameid: CHEBI:72604
iupacname: [N-benzyl-9-(alpha-D-glucopyranosyl)-9H-purin-6-amine]
othernames: ['benzyladenine-9-n-glucoside', 'n-benzyl-9-(alpha-d-glucopyranosyl)adenine']
smiles: [OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12]
inchikey: [KRUUBWXADMDQSI-YYZLIPTLSA-N]
inchi:
[InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18+/m1/s1]


chebiname: N(6),N(6)-dimethyladenine
nameid: CHEBI:60281
iupacname: [N,N-dimethyl-9H-purin-6-amine]
smiles: [CN(C)c1ncnc2[nH]cnc12]
inchi: [InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)]
inchikey: [BVIAOQMSVZHOJM-UHFFFAOYSA-N]
othernames:
['n,n-dimethyladenine', 'n(6)-dimethyladenine', 'n,n-dimethyl-6-aminopurine', '6-(dimethylamino)purine', '6-dimethyladenine', 'n(6),n(6)-dimethyladenine', '6-dimethylaminopurine', 'n,n-dimethyl-1h-purin-6-amine']


chebiname: oxetanocin A
nameid: CHEBI:86012
iupacname: [[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol]
smiles: [Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H]1CO]
inchikey: [LMJVXGOFWKVXAW-OXOINMOOSA-N]
othernames:
['(-)-oxetanocin', 'oxetanocin', '(-)-oxetanocin a', 'nk 84-0218', '9-[(2r,3r,4s)-3,4-bis(hydroxymethyl)-2-oxetanyl]adenine', "9-((2'r,3'r,4's)-3',4'-bis(hydroxymethyl)-2'-oxetanyl)adenine"]

inchi:
[InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1]


chebiname: N(6)-hydroxyadenine
nameid: CHEBI:78235
iupacname: [N-hydroxy-1H-purin-6-amine]
smiles: [ONc1ncnc2[nH]cnc12]
inchi: [InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)]
inchikey: [CBCQWVQNMGNYEO-UHFFFAOYSA-N]
othernames:
['6-n-hydroxylaminopurine', '6-hydroxyaminopurine', 'n-hydroxyadenine', '6-hydroxylaminopurine', 'n-(7h-purin-6-yl)hydroxylamine', 'n(6)-hydroxyadenine', 'hap']


chebiname: 9-(tetrahydrofuryl)adenine
nameid: CHEBI:90232
iupacname: [9-(tetrahydrofuran-2-yl)-9H-purin-6-amine]
smiles: [C12=C(N=CN1C3OCCC3)C(=NC=N2)N]
inchi: [InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)]
inchikey: [UKHMZCMKHPHFOT-UHFFFAOYSA-N]
othernames:
['sq 22536', 'sq22536', 'sq 22,536', '9-(tetrahydro-2-furyl)-adenine', 'sq-22536', '6-amino-9-(tetrahydro-2-furyl)-9h-purine', '9-(tetrahydro-2-furanyl)-9h-purin-6-amine']


chebiname: N-benzyladenine
nameid: CHEBI:29022
iupacname: [N-benzyl-9H-purin-6-amine]
smiles: [C(Nc1ncnc2[nH]cnc12)c1ccccc1]
inchikey: [NWBJYWHLCVSVIJ-UHFFFAOYSA-N]
othernames:
['n(6)-(benzylamino)purine', 'bap', 'n6-benzyladenine', '6-(benzylamino)purine', '6-benzylaminopurine', 'n-benzyl-9h-purin-6-amine', '6-bap', 'n-benzyladenine', 'cytokinin b', 'benzyladenine', '6-[(phenylmethyl)amino]-9h-purine']

inchi:
[InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)]


chebiname: adenosine
nameid: CHEBI:16335
iupacname: [adenosine]
smiles: [Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O]
inchikey: [OIRDTQYFTABQOQ-KQYNXXCUSA-N]
othernames:
['adenosin', '6-amino-9-beta-d-ribofuranosyl-9h-purine', 'adenocard', 'adenocor', 'adenoscan', '9-beta-d-ribofuranosidoadenine', 'adenine deoxyribonucleoside', 'deoxyadenosine', 'ade-rib', 'beta-d-adenosine', 'ado', '9-beta-d-ribofuranosyl-9h-purin-6-amine', 'adenyldeoxyriboside', '(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol', 'desoxyadenosine']

inchi:
[InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1]


chebiname: adenine arabinoside
nameid: CHEBI:45327
iupacname: [9-(beta-D-arabinofuranosyl)-9H-adenine, 9H-adenin-9-yl beta-D-arabinofuranoside]
smiles: [Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O]
inchikey: [OIRDTQYFTABQOQ-UHTZMRCNSA-N]
othernames:
['2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', 'vidarabine', '9-beta-d-arabinofuranosyl-9h-purin-6-amine', '9-beta-d-arabinofuranosyladenine', 'spongoadenosine']

inchi:
[InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1]


chebiname: adefovir
nameid: CHEBI:2469
iupacname: [{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid]
smiles: [N1(C2=C(C(N)=NC=N2)N=C1)CCOCP(O)(=O)O]
inchikey: [SUPKOOSCJHTBAH-UHFFFAOYSA-N]
othernames:
['drg-0156', 'n-(2-phosphonylmethoxyethyl)adenine', 'hsdb 8079', 'pmea', '9-(2-(phosphonomethoxy)ethyl)adenine', 'gs 393', '9-(2-phosphonylmethoxyethyl)adenine', 'gs 0393', 'gs-0393']

inchi:
[InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)]


chebiname: 9-beta-D-xylofuranosyladenine
nameid: CHEBI:46515
iupacname: [9-(beta-D-xylofuranosyl)-9H-purin-6-amine]
othernames: ['xylosyladenine', 'adenine xyloside']
smiles: [[C@@H]1(O[C@H]([C@@H]([C@H]1O)O)N2C=3C(=C(N=CN3)N)N=C2)CO]
inchikey: [OIRDTQYFTABQOQ-GAWUUDPSSA-N]
inchi:
[InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1]


chebiname: 9-riburonosyladenine
nameid: CHEBI:16009
iupacname: [9-beta-D-ribofuranuronosyladenine]
smiles: [Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O]
inchikey: [IBYWUFHJUDTSOC-SOVPELCUSA-N]
othernames:
["ado-5'-cooh", '9-beta-d-ribofuranuronosyl-9h-purin-6-amine', "adenosine 5'-carboxylic acid", '1-(6-amino-9h-purin-9-yl)-1-deoxy-beta-d-ribofuranuronic acid', "adenosine-5'-carboxylic acid"]

inchi:
[InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1]


chebiname: tenofovir alafenamide
nameid: CHEBI:90926
othernames: ['taf', 'gs 7340', 'gs-7340']
smiles: [N1=CN=C2C(=C1N)N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C]
inchikey: [LDEKQSIMHVQZJK-CAQYMETFSA-N]
iupacname:
[propan-2-yl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate]

inchi:
[InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1]


chebiname: 1-methylhypoxanthine
nameid: CHEBI:73959
iupacname: [1-methyl-1,7-dihydro-6H-purin-6-one]
smiles: [Cn1cnc2nc[nH]c2c1=O]
inchi: [InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)]
inchikey: [KIQMCGMHGVXDFW-UHFFFAOYSA-N]
othernames:
['1-methyl-hypoxanthine', '1,7-dihydro-1-methyl-6h-purin-6-one', '1-methyl-1,9-dihydro-6h-purin-6-one']


chebiname: 9-riburonosylhypoxanthine
nameid: CHEBI:17643
iupacname: [9-(beta-D-ribofuranosyluronic acid)-1,9-dihydro-6H-purin-6-one]
othernames: ['9-(beta-d-ribofuranuronosyl)-1,9-dihydro-6h-purin-6-one']
smiles: [O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(O)=O)n1cnc2c1nc[nH]c2=O]
inchikey: [YALKLGGFZOUJBN-SOVPELCUSA-N]
inchi:
[InChI=1S/C10H10N4O6/c15-4-5(16)9(20-6(4)10(18)19)14-2-13-3-7(14)11-1-12-8(3)17/h1-2,4-6,9,15-16H,(H,18,19)(H,11,12,17)/t4-,5+,6-,9+/m0/s1]


chebiname: inosine
nameid: CHEBI:17596
smiles: [OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12]
inchikey: [UGQMRVRMYYASKQ-KQYNXXCUSA-N]
iupacname:
[(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol, 9-(beta-D-ribofuranosyl)-9H-purin-6-ol, inosine]

othernames:
['9-beta-d-ribofuranosylhypoxanthine', 'i', 'inosina', 'hypoxanthine d-riboside', 'inosin', 'inosinum', '9-beta-d-ribofuranosyl-9h-purin-6-ol', 'hypoxanthosine']

inchi:
[InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1]


chebiname: reversine
nameid: CHEBI:70723
iupacname: [N(6)-cyclohexyl-N(2)-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine]
othernames: ['2-(4-morpholinoanilino)-6-cyclohexylaminopurine']
smiles: [C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2[nH]cnc12]
inchikey: [ZFLJHSQHILSNCM-UHFFFAOYSA-N]
inchi:
[InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)]


chebiname: oxetanocin A 4-(dihydrogen phosphate)
nameid: CHEBI:86011
iupacname: [[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate]
othernames: []
smiles: [Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]1CO]
inchikey: [YHDKOVKCJODYNM-OXOINMOOSA-N]
inchi:
[InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1]


chebiname: adefovir pivoxil
nameid: CHEBI:31175
iupacname: [bis{[(tert-butoxycarbonyl)oxy]methyl} {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate]
smiles: [N1(C2=C(C(N)=NC=N2)N=C1)CCOCP(OCOC(OC(C)(C)C)=O)(=O)OCOC(OC(C)(C)C)=O]
inchikey: [RXWOJYZFCFODMQ-UHFFFAOYSA-N]
othernames:
['hepsera', '9-(2-((-bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine', 'gs 0840', 'gs 840', 'gs-0840', '9-(2-((bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine', 'adefovir dipivoxil', 'preveon', '(((2-(6-amino-9h-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate']

inchi:
[InChI=1S/C20H32N5O10P/c1-19(2,3)34-17(26)30-11-32-36(28,33-12-31-18(27)35-20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)]


chebiname: 9-ribosyl-cis-zeatin
nameid: CHEBI:20833
iupacname: [N-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine]
othernames: ['cis-ribosylzeatin', '9-beta-d-ribofuranosyl-cis-zeatin', 'cis-zeatin riboside']
smiles: [C\C(CO)=C\CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O]
inchikey: [GOSWTRUMMSCNCW-BAJUWZQUSA-N]
inchi:
[InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15-/m1/s1]


chebiname: 9-ribosyl-trans-zeatin
nameid: CHEBI:71693
iupacname: [N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine]
smiles: [C\C(CO)=C/CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O]
inchikey: [GOSWTRUMMSCNCW-HNNGNKQASA-N]
othernames:
['(e)-n-(4-hydroxy-3-methyl-2-butenyl)adenosine', 'zeatin riboside', '9-beta-d-ribosyl-trans-zeatin', 'trans-zeatin 9-beta-d-ribofuranoside', '9-beta-d-ribofuranosyl-trans-zeatin', 'trans-zeatin riboside']

inchi:
[InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1]


chebiname: 9-(alpha-D-glucosyl)-cis-zeatin
nameid: CHEBI:72607
iupacname: [9-(alpha-D-glucopyranosyl)-N-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-9H-purin-6-amine]
othernames: ['cis-zeatin-9-n-glucoside', '9-(alpha-d-glucopyranosyl)-cis-zeatin']
smiles: [C\C(CO)=C\CNc1ncnc2n(cnc12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O]
inchikey: [VYRAJOITMBSQSE-SBQJELAYSA-N]
inchi:
[InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16+/m1/s1]


chebiname: 9-(beta-D-glucosyl)-cis-zeatin
nameid: CHEBI:133208
iupacname: [9-beta-D-glucopyranosyl-N-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-9H-purin-6-amine]
othernames: ['cis-zeatin-9-beta-d-glucoside', 'cis-zeatin-9-beta-glucoside', 'cis-zeatin-9-glucoside']
smiles: [[C@H]1([C@H]([C@H](O)[C@H](O[C@H]1N2C=3C(N=C2)=C(NC\C=C(\C)/CO)N=CN3)CO)O)O]
inchikey: [VYRAJOITMBSQSE-MTQUCLQASA-N]
inchi:
[InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16-/m1/s1]


chebiname: 9-(beta-D-glucosyl)-trans-zeatin
nameid: CHEBI:133210
iupacname: [9-beta-D-glucopyranosyl-N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-9H-purin-6-amine]
othernames: ['trans-zeatin-9-beta-glucoside', 'trans-zeatin-9-beta-d-glucoside', 'trans-zeatin-9-glucoside']
smiles: [[C@H]1([C@H]([C@H](O)[C@H](O[C@H]1N2C=3C(N=C2)=C(NC/C=C(\C)/CO)N=CN3)CO)O)O]
inchikey: [VYRAJOITMBSQSE-HNVSNYHQSA-N]
inchi:
[InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1]


chebiname: 9-ribosyl-trans-zeatin 5'-triphosphate
nameid: CHEBI:71938
iupacname: []
smiles: [C\C(CO)=C/CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O]
inchikey: [AOFQQLZNDSBFLN-HNNGNKQASA-N]
othernames:
["9-beta-d-ribofuranosyl-trans-zeatin 5'-triphosphate", "9-beta-d-ribosyl-trans-zeatin 5'-triphosphate", 'trans-zeatin riboside triphosphate', "trans-zeatin 9-beta-d-ribofuranoside 5'-triphosphate", 'tzrtp']

inchi:
[InChI=1S/C15H24N5O14P3/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(32-15)5-31-36(27,28)34-37(29,30)33-35(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,29,30)(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1]


chebiname: 7-(beta-D-glucosyl)-cis-zeatin
nameid: CHEBI:133211
iupacname: [9-beta-D-glucopyranosyl-N-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-7H-purin-6-amine]
smiles: [N=1C=2C(N(C1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(NC/C=C(\CO)/C)N=CN2]
inchikey: [HTDHRCLVWUEXIS-MTQUCLQASA-N]
othernames:
['cis-zeatin-7-beta-d-glucoside', '(z)-zeatin-7-beta-d-glucoside', 'cis-zeatin-7-beta-glucoside', '(z)-zeatin-7-beta-glucoside', 'cis-zeatin-7-glucoside', '7-beta-d-glucopyranosylzeatin', '(z)-zeatin-7-glucoside']

inchi:
[InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16-/m1/s1]


chebiname: 9-ribosylzeatin
nameid: CHEBI:20838
iupacname: [N-(4-hydroxy-3-methylbut-2-en-1-yl)adenosine]
othernames: ['n-(4-hydroxy-3-methyl-2-butenyl)adenosine', 'ribosylzeatin', 'zeatin riboside']
smiles: [CC(CO)=CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O]
inchikey: [GOSWTRUMMSCNCW-SDBHATRESA-N]
inchi:
[InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1]


chebiname: 9-ribosyl-trans-zeatin 5'-monophosphate
nameid: CHEBI:71719
iupacname: [N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine 5'-(dihydrogen phosphate)]
smiles: [C\C(CO)=C/CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O]
inchikey: [IRILMCCKFANGJQ-HNNGNKQASA-N]
othernames:
['tzrmp', "9-beta-d-ribosyl-trans-zeatin 5'-monophosphate", 'trans-zeatin riboside monophosphate', "9-beta-d-ribofuranosyl-trans-zeatin 5'-monophosphate", "trans-zeatin 9-beta-d-ribofuranoside 5'-monophosphate"]

inchi:
[InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1]


chebiname: 9-(alpha-D-glucosyl)-trans-zeatin
nameid: CHEBI:72609
iupacname: [9-(alpha-D-glucopyranosyl)-N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-9H-purin-6-amine]
othernames: ['9-(alpha-d-glucopyranosyl)-trans-zeatin', 'trans-zeatin-9-n-glucoside']
smiles: [C\C(CO)=C/CNc1ncnc2n(cnc12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O]
inchikey: [VYRAJOITMBSQSE-GIHYWFGSSA-N]
inchi:
[InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16+/m1/s1]


chebiname: 9-ribosyl-trans-zeatin 5'-diphosphate
nameid: CHEBI:71875
iupacname: [N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine 5'-(trihydrogen diphosphate)]
smiles: [C\C(CO)=C/CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O]
inchikey: [MXFPFNSSZYNJGX-HNNGNKQASA-N]
othernames:
["9-beta-d-ribofuranosyl-trans-zeatin 5'-diphosphate", "9-beta-d-ribosyl-trans-zeatin 5'-diphosphate", 'tzrdp', 'trans-zeatin riboside diphosphate', "trans-zeatin 9-beta-d-ribofuranoside 5'-diphosphate"]

inchi:
[InChI=1S/C15H23N5O11P2/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(30-15)5-29-33(27,28)31-32(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1]


chebiname: cis-zeatin
nameid: CHEBI:46570
iupacname: [(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol]
smiles: [C\C(CO)=C\CNc1ncnc2[nH]cnc12]
inchikey: [UZKQTCBAMSWPJD-UQCOIBPSSA-N]
othernames:
['(z)-2-methyl-4-(1h-purin-6-ylamino)but-2-en-1-ol', '(2z)-2-methyl-4-(9h-purin-6-ylamino)-2-buten-1-ol']

inchi:
[InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-]


chebiname: trans-zeatin
nameid: CHEBI:16522
iupacname: [(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol]
smiles: [C\C(CO)=C/CNc1ncnc2[nH]cnc12]
inchikey: [UZKQTCBAMSWPJD-FARCUNLSSA-N]
othernames:
['n6-(4-hydroxyisopentenyl)adenine', '(e)-2-methyl-4-(purin-6-ylamino)-2-buten-1-ol', '(e)-2-methyl-4-(1h-purin-6-ylamino)but-2-en-1-ol', '(e)-zeatin', 'zeatin', '(e)-2-methyl-4-(1h-purin-6-ylamino)-2-buten-1-ol']

inchi:
[InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+]


chebiname: O-beta-D-xylosylzeatin
nameid: CHEBI:17438
iupacname: [2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-yl beta-D-xylopyranoside]
othernames: ['o-beta-d-xyloxylzeatin', 'o-beta-d-xylosylzeatin']
smiles: [C\C(CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)=C\CNc1ncnc2[nH]cnc12]
inchikey: [BTXBYCHDVZGXMF-IEDJDMPFSA-N]
inchi:
[InChI=1S/C15H21N5O5/c1-8(4-24-15-12(23)11(22)9(21)5-25-15)2-3-16-13-10-14(18-6-17-10)20-7-19-13/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H2,16,17,18,19,20)/b8-2-/t9-,11+,12-,15-/m1/s1]


chebiname: zeatin
nameid: CHEBI:15333
iupacname: [2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol]
othernames: []
smiles: [[H]C(CNc1ncnc2[nH]cnc12)=C(C)CO]
inchikey: [UZKQTCBAMSWPJD-UHFFFAOYSA-N]
inchi:
[InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)]


chebiname: discadenine
nameid: CHEBI:15955
iupacname: [(2S)-2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoic acid]
smiles: [CC(C)=CCNc1ncn(CC[C@H](N)C(O)=O)c2ncnc12]
inchikey: [KGVAAXZLUAKZEO-JTQLQIEISA-N]
othernames:
['3-(3-amino-3-carboxypropyl)-n6-(delta2-isopentenyl)-adenine', 'alpha-amino-6-((3-methyl-2-butenyl)amino)-3h-purine-3-butanoic acid', '3-(3-amino-3-carboxypropyl)-n6-(delta2)-isopentenyladenine']

inchi:
[InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)/t10-/m0/s1]


chebiname: N(6)-dimethylallyladenine
nameid: CHEBI:17660
iupacname: [N-(3-methylbut-2-en-1-yl)-7H-purin-6-amine, N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine]
smiles: [CC(C)=CCNc1ncnc2[nH]cnc12]
inchi: [InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)]
inchikey: [HYVABZIGRDEKCD-UHFFFAOYSA-N]
othernames:
['n6-(3-methylbut-2-enyl)adenine', 'n(6)-dimethylallyladenine', 'n6-(delta2-isopentenyl)adenine', 'n(6)-(delta2-isopentenyl)adenine', 'ip', 'n6-isopentenyladenine', '6-(3-methyl-2-buten-1-ylamino)purine', 'n6-dimethylallyladenine', 'isopentenyl adenine', 'isopentenyladenine', 'n6-(delta2-isopentenyl)-adenine', '6-(gamma,gamma-dimethylallylamino)purine', '(3-methyl-but-2-enyl)-(7(9)h-purin-6-yl)-amine']


chebiname: 7-(alpha-D-glucosyl)dihydrozeatin
nameid: CHEBI:133475
iupacname: [7-alpha-D-glucopyranosyl-N-(4-hydroxy-3-methylbutyl)-7H-purin-6-amine]
smiles: [N=1C=2C(N(C1)[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(NCCC(CO)C)N=CN2]
inchikey: [WSELIHNWDGFXRQ-CLORPHGJSA-N]
othernames:
['(z)-zeatin-7-alpha-glucoside', '(z)-zeatin-7-n-glucoside', '(z)-zeatin-7-glucoside', 'cis-zeatin-7-glucoside', 'cis-zeatin-7-alpha-d-glucoside', 'cis-zeatin-7-alpha-glucoside', '(z)-zeatin-7-alpha-d-glucoside', 'dihydrozeatin-7-n-glucose']

inchi:
[InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16+/m1/s1]


chebiname: 9-(alpha-D-glucosyl)dihydrozeatin
nameid: CHEBI:72612
iupacname: []
othernames: ['dihydrozeatin-9-n-glucoside', '9-(alpha-d-glucopyranosyl)dihydrozeatin']
smiles: [CC(CO)CCNc1ncnc2n(cnc12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O]
inchikey: [DRPMMLWYLAPTPK-CLORPHGJSA-N]
inchi:
[InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16+/m1/s1]


chebiname: dihydrozeatin-9-N-glucoside-O-glucoside
nameid: CHEBI:133477
iupacname: [4-[(9-alpha-D-glucopyranosyl-9H-purin-6-yl)amino]-2-methylbutyl alpha-D-glucopyranoside]
othernames: ['9,o-di(alpha-d-glucosyl)dihydrozeatin']
inchikey: [KDIRTCPHKDPWMQ-ASAMELDWSA-N]
smiles:
[[C@H]1([C@H]([C@H](O)[C@H](O[C@@H]1OCC(CCNC2=C3N=CN([C@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)C3=NC=N2)C)CO)O)O]

inchi:
[InChI=1S/C22H35N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h7-11,13-18,21-22,28-35H,2-6H2,1H3,(H,23,24,25)/t9?,10-,11-,13-,14-,15+,16+,17-,18-,21+,22+/m1/s1]


chebiname: 9-(alpha-D-glucosyl)kinetin
nameid: CHEBI:72620
iupacname: []
smiles: [OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12]
inchikey: [OYLTWZIEBYEQGY-HMXKMONRSA-N]
othernames:
['9-alpha-d-glucopyranosylkinetin', 'kinetin-9-n-glucoside', '9-(alpha-d-glucopyranosyl)kinetin', '9-alpha-d-glucosylkinetin']

inchi:
[InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1]


chebiname: dihydrozeatin
nameid: CHEBI:17874
iupacname: [(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol]
smiles: [C[C@@H](CO)CCNc1ncnc2nc[nH]c12]
inchikey: [XXFACTAYGKKOQB-SSDOTTSWSA-N]
othernames:
['n(6)-(4-hydroxyisopentanyl)adenine', '2-methyl-4-(1h-purin-6-ylamino)butan-1-ol', 'n6-(4-hydroxyisopentanyl)adenine', '2-methyl-4-(9h-purin-6-ylamino)butan-1-ol']

inchi:
[InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1]


chebiname: 6-alkylamino-7-beta-D-glucosylpurine
nameid: CHEBI:15704
iupacname: []
smiles: [OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cnc2ncnc(N[*])c12]
inchi: []
inchikey: []
othernames:
['an n(6)-alkylamino-7-beta-d-glucosylpurine', '6-alkylamino-7-beta-d-glucosylpurines', 'n6-alkylaminopurine-7-beta-d-glucoside']


chebiname: N(2)-carboxyethylguanine
nameid: CHEBI:62032
iupacname: [N-(6-oxo-6,9-dihydro-1H-purin-2-yl)alanine]
othernames: ['n(2)-(1-carboxyethyl)guanine', 'ceguanine']
smiles: [CC(Nc1nc2[nH]cnc2c(=O)[nH]1)C(O)=O]
inchikey: [YCCGSWHBNBAHIT-UHFFFAOYSA-N]
inchi:
[InChI=1S/C8H9N5O3/c1-3(7(15)16)11-8-12-5-4(6(14)13-8)9-2-10-5/h2-3H,1H3,(H,15,16)(H3,9,10,11,12,13,14)]


chebiname: ganciclovir
nameid: CHEBI:465284
iupacname: [2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-1,9-dihydro-6H-purin-6-one]
smiles: [Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1]
inchikey: [IRSCQMHQWWYFCW-UHFFFAOYSA-N]
othernames:
['2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-1h-purin-6(9h)-one', '2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-9h-purin-6-ol', '9-(1,3-dihydroxy-propoxymethane)guanine', '9-[(1,3-dihydroxy-2-propoxy)methyl]guanine', '2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-3h-purin-6(9h)-one', 'ga2', '2-amino-9-(2-hydroxy-1-hydroxymethylethoxymethyl)-6,9-dihydro-1h-6-purinone', 'gancyclovir', '9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanine', 'ganciclovirum', '2-(6-amino-purin-9-ylmethoxy)-propane-1,3-diol', '2-amino-9-(2-hydroxy-1-hydroxymethyl-ethoxymethyl)-1,9-dihydro-purin-6-one']

inchi:
[InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)]


chebiname: penciclovir
nameid: CHEBI:7956
iupacname: [2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one]
smiles: [Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1]
inchikey: [JNTOCHDNEULJHD-UHFFFAOYSA-N]
othernames:
['9-[2-hydroxy-1-(hydroxymethyl)-ethoxymethyl]guanine', '9-[4-hydroxy-3-(hydroxymethyl)but-1-yl]guanine', 'pcv', 'penciclovirum', 'pe2', '9-(4-hydroxy-3-(hydroxymethyl)butyl)guanine', '9-(4-hydroxy-3-hydroxymethylbut-1-yl)-guanine']

inchi:
[InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)]


chebiname: valganciclovir
nameid: CHEBI:63635
iupacname: [2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl L-valinate]
othernames: []
smiles: [CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c1[nH]c(N)nc2=O]
inchikey: [WPVFJKSGQUFQAP-GKAPJAKFSA-N]
inchi:
[InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1]


chebiname: O(6)-methyl-2'-deoxyguanosine
nameid: CHEBI:27549
iupacname: [9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-methoxy-9H-purin-2-amine]
smiles: [COc1nc(N)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1]
inchikey: [BCKDNMPYCIOBTA-RRKCRQDMSA-N]
othernames:
["o(6)-methyl-2'-deoxyguanosine", 'o(6)-methyldeoxyguanosine', "2'-deoxy-o(6)-methylguanosine", "o6-methyl-2'-deoxyguanosine"]

inchi:
[InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1]


chebiname: valacyclovir
nameid: CHEBI:35854
iupacname: [2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate]
smiles: [CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O]
inchikey: [HDOVUKNUBWVHOX-QMMMGPOBSA-N]
othernames:
['l-valine, 2-((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy)ethyl ester', 'l-valine ester with 9-((2-hydroxyethoxy)methyl)guanine']

inchi:
[InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1]


chebiname: guanosine
nameid: CHEBI:16750
iupacname: [guanosine]
smiles: [Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O]
inchikey: [NYHBQMYGNKIUIF-UUOKFMHZSA-N]
othernames:
['2(3h)-imino-9-beta-d-ribofuranosyl-9h-purin-6(1h)-one', 'g', 'guanine-9-beta-d-ribofuranoside', 'guo', '9-beta-d-ribofuranosyl-guanine', 'guanine riboside', '2-amino-1,9-dihydro-9-beta-d-ribofuranosyl-6h-purin-6-one', 'guanosin', '2-amino-9-beta-d-ribofuranosyl-1,9-dihydro-6h-purin-6-one']

inchi:
[InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1]


chebiname: nelarabine
nameid: CHEBI:63612
iupacname: [9-(beta-D-arabinofuranosyl)-6-methoxy-9H-purin-2-amine]
othernames: ['2-amino-9-beta-d-arabinofuranosyl-6-methoxy-9h-purine', 'arranon', 'nelzarabine']
smiles: [COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O]
inchikey: [IXOXBSCIXZEQEQ-UHTZMRCNSA-N]
inchi:
[InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1]


chebiname: 7-amido-7-deazaguanosine
nameid: CHEBI:131836
iupacname: [2-amino-4-oxo-7-beta-D-ribofuranosyl-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide]
othernames: []
smiles: [N1C(=NC2=C(C1=O)C(=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(N)=O)N]
inchikey: [CNQDKAFKNBVKDW-RPKMEZRRSA-N]
inchi:
[InChI=1S/C12H15N5O6/c13-8(21)3-1-17(9-5(3)10(22)16-12(14)15-9)11-7(20)6(19)4(2-18)23-11/h1,4,6-7,11,18-20H,2H2,(H2,13,21)(H3,14,15,16,22)/t4-,6-,7-,11-/m1/s1]


chebiname: N(2),N(2)-dimethylguanosine
nameid: CHEBI:19289
iupacname: [N,N-dimethylguanosine]
smiles: [CN(C)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O]
inchikey: [RSPURTUNRHNVGF-IOSLPCCCSA-N]
othernames:
['m22g', '2-dimethylamino-6-oxypurine riboside', '2,2-dimethylguanosine', 'n2-dimethylguanosine', '2-(dimethylamino)-9-(beta-d-ribofuranosyl)-1,9-dihydro-6h-purin-6-one', 'n(2),n(2)-dimethylguanosine']

inchi:
[InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1]


chebiname: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
nameid: CHEBI:28664
iupacname: [2-amino-7-methyl-1,7-dihydro-6H-purin-6-one]
smiles: [Cn1cnc2nc(N)[nH]c(=O)c12]
inchi: [InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)]
inchikey: [FZWGECJQACGGTI-UHFFFAOYSA-N]
othernames:
['7-methylguanine', '2-amino-1,7-dihydro-7-methyl-6h-purin-6-one', '2-amino-7-methylhypoxanthine', 'n(7)-methylguanine']


chebiname: N(2)-methylguanine
nameid: CHEBI:21818
iupacname: [2-(methylamino)-1,7-dihydro-6H-purin-6-one]
smiles: [O=C1N=C(NC=2NC=NC21)NC]
inchi: [InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12)]
inchikey: [SGSSKEDGVONRGC-UHFFFAOYSA-N]
othernames:
['1,7-dihydro-2-(methylamino)-6h-purin-6-one', '2-methylguanine', 'n-methyl-guanine', '2-methylamino-6-oxopurine']


chebiname: 6-O-methylguanine
nameid: CHEBI:20689
iupacname: [6-methoxy-7H-purin-2-amine]
smiles: [COc1nc(N)nc2nc[nH]c12]
inchi: [InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)]
inchikey: [BXJHWYVXLGLDMZ-UHFFFAOYSA-N]
othernames:
['o-(6)-methylguanine', 'o(6)-methylguanine', '6-methoxyguanine', '6-methoxy-1h-purine-2-amine', '2-amino-6-methoxypurine']


chebiname: 3-methyl-7H-xanthine
nameid: CHEBI:62208
iupacname: [3-methyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [Cn1c2nc[nH]c2c(=O)[nH]c1=O]
inchi: [InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)]
inchikey: [GMSNIKWWOQHZGF-UHFFFAOYSA-N]
othernames:
['n(1)-demethyltheophylline', '3-methyl-3,7(9)-dihydro-purine-2,6-dione', '3-methylxanthine', '3,7-dihydro-3-methyl-1h-purine-2,6-dione']


chebiname: 3-methyl-9H-xanthine
nameid: CHEBI:62207
iupacname: [3-methyl-3,9-dihydro-1H-purine-2,6-dione]
smiles: [Cn1c2[nH]cnc2c(=O)[nH]c1=O]
inchi: [InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)]
inchikey: [GMSNIKWWOQHZGF-UHFFFAOYSA-N]
othernames:
['3-methylxanthine', '3-methyl-3,7(9)-dihydro-purine-2,6-dione', '2-oxo-3-methylhypoxanthine', '3 mx', '3-methyl-3,9-dihydro-2h,6h-purine-2,6-dione', '3,9-dihydro-3-methyl-1h-purine-2,6-dione']


chebiname: 1-methyl-3-propyl-7H-xanthine
nameid: CHEBI:145517
iupacname: [1-methyl-3-propyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [CN1C(=O)C2=C(N=CN2)N(C1=O)CCC]
inchi: [InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)]
inchikey: [MCPROACZLSAAPY-UHFFFAOYSA-N]
othernames:
['1-methyl-3-propylxanthine', '1-methyl-3-n-propylxanthine', '1-methyl-3-propyl-7h-purine-2,6-dione', '3,7-dihydro-1-methyl-3-propyl-1h-purine-2,6-dione', 'mpx']


chebiname: (S)-lisofylline
nameid: CHEBI:143564
iupacname: [1-[(5S)-5-hydroxyhexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [C=12N(C=NC1N(C(N(C2=O)CCCC[C@@H](O)C)=O)C)C]
inchikey: [NSMXQKNUPPXBRG-VIFPVBQESA-N]
othernames:
['1-[(s)-5-hydroxyhexyl]-3,7-dimethylxanthine', '(s)-lsf', '1-[(5s)-5-hydroxyhexyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione', '(+)-lisofylline', '(s)-lisophylline']

inchi:
[InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1]


chebiname: (R)-lisofylline
nameid: CHEBI:143527
iupacname: [1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [C=12N(C=NC1N(C(N(C2=O)CCCC[C@H](O)C)=O)C)C]
inchikey: [NSMXQKNUPPXBRG-SECBINFHSA-N]
othernames:
['(-)-lisofylline', 'ct-1501r', '(r)-1-(5-hydroxyhexyl)-3,7-dimethylxanthine', 'ct 1501r', 'lisofyllinum', '(r)-lsf', '1-[(5r)-5-hydroxyhexyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione', 'lisofylline', '1-(5r-hydroxyhexyl)-3,7-dimethylxanthine', 'lisofilina', '1-[(r)-5-hydroxyhexyl]theobromine', 'protec', 'lisophylline']

inchi:
[InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1]


chebiname: theophylline
nameid: CHEBI:28177
iupacname: [1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [Cn1c2nc[nH]c2c(=O)n(C)c1=O]
inchi: [InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)]
inchikey: [ZFXYFBGIUFBOJW-UHFFFAOYSA-N]
othernames:
['theolair', 'uniphyl', '1,3-dimethylxanthine', 'theophyllin', 'respbid', '1,3-dimethyl-7h-purine-2,6-dione', 'theo-dur', 'elixophyllin', 'theophylline anhydrous']


chebiname: theobromine
nameid: CHEBI:28946
iupacname: [3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [Cn1cnc2n(C)c(=O)[nH]c(=O)c12]
inchi: [InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)]
inchikey: [YAPQBXQYLJRXSA-UHFFFAOYSA-N]
othernames:
['theobromin', '3,7-dihydro-3,7-dimethyl-1h-purine-2,6-dione', '3,7-dimethylxanthine', '3,7-dimethylpurine-2,6-dione']


chebiname: 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
nameid: CHEBI:143565
iupacname: [1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
othernames: []
smiles: [C=12N(C=NC1N(C(N(C2=O)CCCCC(O)C)=O)C)C]
inchikey: [NSMXQKNUPPXBRG-UHFFFAOYSA-N]
inchi:
[InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3]


chebiname: 8-(3-chlorostyryl)caffeine
nameid: CHEBI:53115
iupacname: [8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione]
othernames: ['csc']
smiles: [Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12]
inchikey: [WBWFIUAVMCNYPG-BQYQJAHWSA-N]
inchi:
[InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+]


chebiname: caffeine
nameid: CHEBI:27732
iupacname: [1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [Cn1cnc2n(C)c(=O)n(C)c(=O)c12]
inchi: [InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3]
inchikey: [RYYVLZVUVIJVGH-UHFFFAOYSA-N]
othernames:
['1,3,7-trimethylpurine-2,6-dione', '7-methyltheophylline', 'coffein', 'methyltheobromine', 'koffein', 'guaranine', '1-methyltheobromine', 'thein', 'cafeina', '1,3,7-trimethyl-2,6-dioxopurine', 'mateina', 'cafeine', 'anhydrous caffeine', '1,3,7-trimethylxanthine', 'theine', 'teina', '3,7-dihydro-1,3,7-trimethyl-1h-purin-2,6-dion']


chebiname: 3-isobutyl-1-methyl-7H-xanthine
nameid: CHEBI:34795
iupacname: [1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione]
smiles: [CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O]
inchi: [InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)]
inchikey: [APIXJSLKIYYUKG-UHFFFAOYSA-N]
othernames:
['3-isobutyl-1-methyxanthine', '1-methyl-3-isobutylxanthine', '1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione', 'ibmx', '3-isobutyl-1-methyl-3,7-dihydro-1h-purine-2,6-dione', '3-isobutyl-1-methylxanthine']


chebiname: DPCPX
nameid: CHEBI:73282
iupacname: [8-cyclopentyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione]
smiles: [CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1]
inchikey: [FFBDFADSZUINTG-UHFFFAOYSA-N]
othernames:
['pd-116,948', 'pd-116948', 'cpx', '1,3-dipropyl-8-cyclopentylxanthine', 'dipropylcyclopentylxanthine', '1,3-dpcpx', '8-cyclopentyl-1,3-dipropylxanthine']

inchi:
[InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)]


chebiname: linagliptin
nameid: CHEBI:68610
smiles: [CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1]
inchikey: [LTXREWYXXSTFRX-QGZVFWFLSA-N]
iupacname:
[8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione]

othernames:
['(r)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione', 'bi 1356', 'tradjenta']

inchi:
[InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1]


chebiname: 9H-xanthine
nameid: CHEBI:17712
iupacname: [3,9-dihydro-1H-purine-2,6-dione]
smiles: [O=c1[nH]c2[nH]cnc2c(=O)[nH]1]
inchi: [InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)]
inchikey: [LRFVTYWOQMYALW-UHFFFAOYSA-N]
othernames:
['2,6-dihydroxypurine', '9h-purine-2,6-(1h,3h)-dione', 'xanthine', 'xan', 'purine-2(3h),6(1h)-dione', '2,6-dioxo-1,2,3,6-tetrahydropurine']


chebiname: 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
nameid: CHEBI:42702
iupacname: [6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione]
smiles: [CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O]
inchikey: [NVGVZWUORYLPAL-UHFFFAOYSA-N]
othernames:
['6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)uracil', 'i-ebu-dm', "6-(3',5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil"]

inchi:
[InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)]


chebiname: 6-benzyl-1-(benzyloxymethyl)-5-isopropyluracil
nameid: CHEBI:45910
iupacname: [6-benzyl-1-[(benzyloxy)methyl]-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione]
smiles: [CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O]
inchikey: [KSAAUHMSLCPIEX-UHFFFAOYSA-N]
othernames:
['tnk-651', '5-(1-methylethyl)-1-[(phenylmethoxy)methyl]-6-(phenylmethyl)-2,4(1h,3h)-pyrimidinedione', '6-benzyl-1-benzyloxymethyl-5-isopropyl uracil', 'tnk651', '6-benzyl-1-[(benzyloxy)methyl]-5-(1-methylethyl)uracil']

inchi:
[InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)]


chebiname: emivirine
nameid: CHEBI:44143
iupacname: [6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione]
smiles: [CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O]
inchikey: [MLILORUFDVLTSP-UHFFFAOYSA-N]
othernames:
['6-benzyl-1-(ethoxymethyl)-5-(1-methylethyl)uracil', '6-benzyl-1-ethoxymethyl-5-isopropyl uracil', 'coactinon', '1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine-2,4(1h,3h)-dione', 'mkc-442']

inchi:
[InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)]


chebiname: 1-(ethoxymethyl)-5-isopropyl-6-(phenylsulfanyl)uracil
nameid: CHEBI:40152
iupacname: [1-(ethoxymethyl)-6-(phenylsulfanyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione]
smiles: [CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O]
inchikey: [SFVSRXRSAJNPAC-UHFFFAOYSA-N]
othernames:
['5-isopropyl-1-ethoxymethyl-6-(phenylthio)uracil', '5-isopropyl-1-(ethoxymethyl)-6-(phenylthio)uracil']

inchi:
[InChI=1S/C16H20N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)]


chebiname: 5-bromouracil
nameid: CHEBI:20552
iupacname: [5-bromopyrimidine-2,4(1H,3H)-dione]
smiles: [Brc1c[nH]c(=O)[nH]c1=O]
inchi: [InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)]
inchikey: [LQLQRFGHAALLLE-UHFFFAOYSA-N]
othernames:
['5-bru', 'bromouracil', '1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedione', '5-bromo-2,4(1h,3h)-pyrimidinedione', '5-bu']


chebiname: 5-benzyloxybenzylacyclouridine
nameid: CHEBI:39579
iupacname: [5-[3-(benzyloxy)benzyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione]
smiles: [OCCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O]
inchikey: [CSXNPJKDZKLDET-UHFFFAOYSA-N]
othernames:
["5-(m-benzyloxybenzyl)-1-(2'-hydroxyethoxymethyl)uracil", '5-bbau', '1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione', '5-(benzyloxybenzyl)acyclouridine', 'bbau']

inchi:
[InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)]


chebiname: 5-benzyl-1-(2-hydroxyethoxymethyl)uracil
nameid: CHEBI:41037
iupacname: [5-benzyl-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione]
othernames: ['5-benzylacyclouridine', 'bau']
smiles: [OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O]
inchikey: [SPJAGILXQBHHSZ-UHFFFAOYSA-N]
inchi:
[InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)]


chebiname: 6-cyclohexylsulfanyl-1-ethoxymethyl-5-isopropyluracil
nameid: CHEBI:62748
iupacname: [6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione]
smiles: [CCOCn1c(SC2CCCCC2)c(C(C)C)c(=O)[nH]c1=O]
inchikey: [JKXLRLDPSLZEDD-UHFFFAOYSA-N]
othernames:
['6-cyclohexylthio-1-ethoxymethyl-5-isopropyluracil', '6-(cyclohexylthio)-1-(ethoxymethyl)-5-isopropyluracil']

inchi:
[InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20)]


chebiname: 2'-deoxyuridine
nameid: CHEBI:16450
iupacname: [1-(2-deoxy-beta-D-erythro-pentofuranosyl)uracil]
othernames: ['du', 'deoxyuridine', '2-deoxyuridine']
smiles: [OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O]
inchikey: [MXHRCPNRJAMMIM-SHYZEUOFSA-N]
inchi:
[InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1]


chebiname: 5-carboxy-2'-deoxyuridine
nameid: CHEBI:102485
iupacname: [5-carboxy-2'-deoxyuridine]
othernames: ["2'-deoxy-5-carboxyuridine"]
smiles: [[C@@H]1(N2C(NC(=O)C(=C2)C(=O)O)=O)O[C@H](CO)[C@H](C1)O]
inchikey: [GAGYTXTVUMXAOC-RRKCRQDMSA-N]
inchi:
[InChI=1S/C10H12N2O7/c13-3-6-5(14)1-7(19-6)12-2-4(9(16)17)8(15)11-10(12)18/h2,5-7,13-14H,1,3H2,(H,16,17)(H,11,15,18)/t5-,6+,7+/m0/s1]


chebiname: thiouracil
nameid: CHEBI:348530
iupacname: [2-thioxo-2,3-dihydropyrimidin-4(1H)-one]
smiles: [O=c1cc[nH]c(=S)[nH]1]
inchi: [InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)]
inchikey: [ZEMGGZBWXRYJHK-UHFFFAOYSA-N]
othernames:
['2-mercapto-pyrimidin-4-ol', '4-hydroxy-2-pyrimidinethiol', '2-mercapto-4-pyrimidinol', '2-thio-2,4-(1h,3h)-pyrimidinedione', '2-thioxo-2,3-dihydro-1h-pyrimidin-4-one', '2-thiouracil']


chebiname: saflufenacil
nameid: CHEBI:142824
smiles: [C(=O)(C1=C(C=C(C(=C1)N2C(N(C(=CC2=O)C(F)(F)F)C)=O)F)Cl)NS(N(C)C(C)C)(=O)=O]
inchikey: [GNHDVXLWBQYPJE-UHFFFAOYSA-N]
iupacname:
[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]-N-[methyl(propan-2-yl)sulfamoyl]benzamide, 2-chloro-4-fluoro-N-[isopropyl(methyl)sulfamoyl]-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]benzamide]

othernames:
['2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2h)-pyrimidinyl]-4-fluoro-n-[[methyl(1-methylethyl)amino]sulfonyl]benzamide', "n'-{2-chloro-4-fluoro-5-[1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoyl}-n-isopropyl-n-methylsulfamide", 'kixor', 'saflufenacile']

inchi:
[InChI=1S/C17H17ClF4N4O5S/c1-8(2)25(4)32(30,31)23-15(28)9-5-12(11(19)6-10(9)18)26-14(27)7-13(17(20,21)22)24(3)16(26)29/h5-8H,1-4H3,(H,23,28)]


chebiname: butafenacil
nameid: CHEBI:143863
smiles: [C=1C(N(C(N(C1C(F)(F)F)C)=O)C=2C=C(C(=CC2)Cl)C(=O)OC(C(OCC=C)=O)(C)C)=O]
inchikey: [JEDYYFXHPAIBGR-UHFFFAOYSA-N]
iupacname:
[2-methyl-1-oxo-1-[(prop-2-en-1-yl)oxy]propan-2-yl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]benzoate]

othernames:
['logran b-power', 'cga-276854', '1-(allyloxycarbonyl)-1-methylethyl 2-chloro-5-[1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate', 'b-power', '1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2h)-pyrimidinyl]benzoate', 'cga 276854', 'touchdown b-power']

inchi:
[InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3]


chebiname: dasabuvir
nameid: CHEBI:85182
othernames: ['abt 333']
smiles: [C1=C(C=C2C(=C1)C=C(C=C2)C3=CC(=CC(=C3OC)C(C)(C)C)N4C=CC(NC4=O)=O)NS(C)(=O)=O]
inchikey: [NBRBXGKOEOGLOI-UHFFFAOYSA-N]
iupacname:
[N-{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide]

inchi:
[InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)]


chebiname: uridine
nameid: CHEBI:16704
iupacname: [uridine]
smiles: [OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O]
inchikey: [DRTQHJPVMGBUCF-XVFCMESISA-N]
othernames:
['urd', 'uridin', '1-beta-d-ribofuranosyluracil', 'beta-uridine', 'u', '1-beta-d-ribofuranosylpyrimidine-2,4(1h,3h)-dione']

inchi:
[InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1]


chebiname: uracil-5-carboxylic acid
nameid: CHEBI:17477
iupacname: [2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid]
smiles: [OC(=O)c1c[nH]c(=O)[nH]c1=O]
inchi: [InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)]
inchikey: [ZXYAAVBXHKCJJB-UHFFFAOYSA-N]
othernames:
['isoorotic acid', 'uracil 5-carboxylic acid', '2,4-dihydroxy-5-pyrimidinecarboxylic acid', 'uracil 5-carboxylate', 'steviolbioside', '5-carboxyuracil']


chebiname: 5-hydroxymethyluracil
nameid: CHEBI:16964
iupacname: [5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione]
smiles: [OCc1c[nH]c(=O)[nH]c1=O]
inchi: [InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)]
inchikey: [JDBGXEHEIRGOBU-UHFFFAOYSA-N]
othernames:
['5-(hydroxymethyl)uracil', '5-hydroxymethyl uracil', '5-(hydroxymethyl)-2,4(1h,3h)-pyrimidinedione']


chebiname: 5,6-dihydrouracil
nameid: CHEBI:15901
iupacname: [dihydropyrimidine-2,4(1H,3H)-dione]
smiles: [O=C1CCNC(=O)N1]
inchi: [InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)]
inchikey: [OIVLITBTBDPEFK-UHFFFAOYSA-N]
othernames:
['dihydrouracile', '2,4-dioxotetrahydropyrimidine', 'hydrouracil', 'dihydrouracil', 'dihydro-2,4(1h,3h)-pyrimidinedione', '5,6-dihydro-2,4-dihydroxypyrimidine', '2,4(1h,3h)-pyrimidinedione, dihydro-', 'dihydropyrimidine-2,4(1h,3h)-dione']


chebiname: 5-fluorouracil
nameid: CHEBI:46345
iupacname: [5-fluoropyrimidine-2,4(1H,3H)-dione, 5-fluorouracil]
smiles: [Fc1c[nH]c(=O)[nH]c1=O]
inchi: [InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)]
inchikey: [GHASVSINZRGABV-UHFFFAOYSA-N]
othernames:
['5-fu', '5-fluoracil', 'fluorouracil', 'fluorouracilum', '5-fluoropyrimidine-2,4-dione', 'fluorouracilo']


chebiname: 3-(5-fluorouracil-1-yl)-L-alanine
nameid: CHEBI:42549
iupacname: [3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine]
smiles: [N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O]
inchikey: [DBWPFHJYSTVBCZ-BYPYZUCNSA-N]
othernames:
['(2s)-2-amino-3-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid', '2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid', '(s)-alpha-amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2h)-pyrimmidinepropanoic acid', '(s)-(-)-5-fluorowillardiine', '(s)-f-willardiine', '5-fluorowillardiine']

inchi:
[InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1]


chebiname: 6-propyl-2-thiouracil
nameid: CHEBI:8502
iupacname: [6-propyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one]
smiles: [CCCc1cc(=O)[nH]c(=S)[nH]1]
inchi: [InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)]
inchikey: [KNAHARQHSZJURB-UHFFFAOYSA-N]
othernames:
['propylthiouracile', 'propylthiouracilum', '6-thio-4-propyluracil', '2,3-dihydro-6-propyl-2-thioxo-4(1h)-pyrimidinone', '2-thio-4-oxo-6-propyl-1,3-pyrimidine', '2-mercapto-6-propylpyrimid-4-one', '6-propyl-2-thio-2,4(1h,3h)pyrimidinedione', '4-propyl-2-thiouracil', '2-thio-6-propyl-1,3-pyrimidin-4-one', 'propiltiouracilo', 'propylthiouracil', '6-propylthiouracil', '6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one', '2-mercapto-6-propyl-4-pyrimidone']


chebiname: 3-(uracil-1-yl)-L-alanine
nameid: CHEBI:15851
iupacname: [3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine]
smiles: [N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O]
inchikey: [FACUYWPMDKTVFU-BYPYZUCNSA-N]
othernames:
['willardiine', '2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid', '3-(uracil-1-yl)-l-alanine']

inchi:
[InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1]


chebiname: ({[(1R,2R)-2-(uracil-1-yl)cyclopentyl]oxy}methyl)phosphonic acid
nameid: CHEBI:42248
iupacname: [({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic acid]
othernames: ['pmcp-u', '1-trans-(2-phosphonomethoxycyclopentyl)uracil']
smiles: [[C@H]1(N2C(NC(=O)C=C2)=O)[C@@H](CCC1)OCP(=O)(O)O]
inchikey: [KKXMDNJBVSYDQL-HTQZYQBOSA-N]
inchi:
[InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1]


chebiname: 5,6-dihydroxy-2'-deoxyuridine
nameid: CHEBI:132189
iupacname: [2'-deoxy-5,6-dihydroxyuridine]
othernames: ['dhdu']
smiles: [C1(=C(O)C(NC(N1[C@@H]2O[C@H](CO)[C@H](C2)O)=O)=O)O]
inchikey: [ONQUCILPUGRQOR-VPENINKCSA-N]
inchi:
[InChI=1S/C9H12N2O7/c12-2-4-3(13)1-5(18-4)11-8(16)6(14)7(15)10-9(11)17/h3-5,12-14,16H,1-2H2,(H,10,15,17)/t3-,4+,5+/m0/s1]


chebiname: 2'-deoxy-5-(4,5-dihydroxypentyl)uridine
nameid: CHEBI:132191
iupacname: [2'-deoxy-5-(4,5-dihydroxypentyl)uridine]
othernames: ["5-(4,5-dihydroxypentyl)-2'-deoxyuridine", 'dhpdu']
smiles: [C1=C(CCCC(CO)O)C(NC(N1[C@@H]2O[C@H](CO)[C@H](C2)O)=O)=O]
inchikey: [XMJPAHNUWXBESH-FGHRXAJISA-N]
inchi:
[InChI=1S/C14H22N2O7/c17-6-9(19)3-1-2-8-5-16(14(22)15-13(8)21)12-4-10(20)11(7-18)23-12/h5,9-12,17-20H,1-4,6-7H2,(H,15,21,22)/t9?,10-,11+,12+/m0/s1]


chebiname: 5-(2-aminoethyl)-2'-deoxyuridine
nameid: CHEBI:142166
iupacname: [5-(2-aminoethyl)-2'-deoxyuridine]
smiles: [N1(C(NC(C(=C1)CCN)=O)=O)[C@H]2C[C@@H]([C@H](O2)CO)O]
inchikey: [WTDDCUXJNCBBKI-DJLDLDEBSA-N]
othernames:
['5-(2-aminoethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione', '5-(2-aminoethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1h,3h)-dione', '5-nedu']

inchi:
[InChI=1S/C11H17N3O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1-3,5,12H2,(H,13,17,18)/t7-,8+,9+/m0/s1]


chebiname: 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
nameid: CHEBI:78397
othernames: ['5-(2-oxoethylideneamino)-6-(d-ribitylamino)uracil', '5-oe-ru']
smiles: [OC[C@@H](O)[C@@H](O)[C@@H](O)CNc1[nH]c(=O)[nH]c(=O)c1\N=C\C=O]
inchikey: [PUEQUELBQOQOOV-GJQDMXJLSA-N]
iupacname:
[1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol]

inchi:
[InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1]


chebiname: 5-[bis(2-chloroethyl)amino]uracil
nameid: CHEBI:9884
iupacname: [5-[bis(2-chloroethyl)amino]pyrimidine-2,4(1H,3H)-dione]
smiles: [ClCCN(CCCl)c1c[nH]c(=O)[nH]c1=O]
inchi: [InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)]
inchikey: [IDPUKCWIGUEADI-UHFFFAOYSA-N]
othernames:
['aminouracil mustard', '5-n,n-bis(2-chloroethyl)aminouracil', 'uracil nitrogen mustard', '5-aminouracil mustard', 'uracil mustard', '5-[bis(2-chloroethyl)amino]-2,4(1h,3h)-pyrimidinedione', '5-[di(beta-chloroethyl)amino]uracil', '5-(di-2-chloroethyl)aminouracil']


chebiname: 5-amino-6-(5-phospho-D-ribitylamino)uracil
nameid: CHEBI:18247
smiles: [Nc1c(NC[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)[nH]c(=O)[nH]c1=O]
inchikey: [RQRINYISXYAZKL-RPDRRWSUSA-N]
iupacname:
[1-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-ylamino)-1-deoxy-5-O-phosphono-D-ribitol, 1-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-ylamino)-1-deoxy-D-ribitol 5-(dihydrogen phosphate), 1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-5-O-phosphono-D-ribitol]

othernames:
["5-amino-2,6-dioxy-4-(5'-phospho-d-ribitylamino)pyrimidine", '5-amino-6-(5-phospho-d-ribitylamino)uracil', '5-amino-6-(5-phosphoribitylamino)uracil', "5-amino-2,6-dioxy-4-(5'-phosphoribitylamino)pyrimidine", "5-amino-6-(5'-phosphoribitylamino)uracil"]

inchi:
[InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18)/t3-,4+,6-/m0/s1]


chebiname: 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
nameid: CHEBI:78398
othernames: ['5-op-ru', '5-(2-oxopropylideneamino)-6-(d-ribitylamino)uracil']
smiles: [CC(=O)\C=N\c1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O]
inchikey: [LXKLTDXEFFOBPT-CEKOQDAHSA-N]
iupacname:
[1-deoxy-1-({2,6-dioxo-5-[(EE)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol]

inchi:
[InChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1]


chebiname: 5-amino-6-(D-ribitylamino)uracil
nameid: CHEBI:15934
iupacname: [1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-D-ribitol]
smiles: [Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O]
inchikey: [XKQZIXVJVUPORE-RPDRRWSUSA-N]
othernames:
['5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione', '5-amino-6-(1-d-ribitylamino)uracil', '6-(1-d-ribitylamino)-5-aminouracil', '4-(1-d-ribitylamino)-5-amino-2,6-dihydroxypyrimidine', '5-amino-2,6-dioxo-4-ribitylaminopyrimidine', '5-a-ru', '5-amino-6-(d-ribitylamino)uracil', '6-(1-d-ribitylamino)-5-amino-2,4-dihydroxypyrimidine', '5-arpd', '5-amino-6-ribitylaminouracil']

inchi:
[InChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)/t3-,4+,6-/m0/s1]


chebiname: 5-amino-6-(5-phospho-beta-D-ribosylamino)uracil
nameid: CHEBI:18337
smiles: [Nc1c(N[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)[nH]c(=O)[nH]c1=O]
inchikey: [LZEXYCAGPMYXLX-UMMCILCDSA-N]
iupacname:
[N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine, N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-beta-D-ribofuranosylamine 5-(dihydrogen phosphate)]

othernames:
["5-amino-6-(5'-phosphoribosylamino)uracil", "5-amino-6-(ribosylamino)-2,4-(1h,3h)-pyrimidinedione 5'-phosphate", '5-amino-6-(5-phosphoribosylamino)uracil']

inchi:
[InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1]


chebiname: 5-(2-aminoethoxy)methyl-2'-deoxyuridine
nameid: CHEBI:142164
iupacname: [5-[(2-aminoethoxy)methyl]-2'-deoxyuridine]
smiles: [N1(C(NC(C(=C1)COCCN)=O)=O)[C@H]2C[C@@H]([C@H](O2)CO)O]
inchikey: [YRTWGZACASMEIB-IVZWLZJFSA-N]
othernames:
['5-neomdu', '5-(2-aminoethoxymethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione', '5-[(2-aminoethoxy)methyl]-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1h,3h)-dione']

inchi:
[InChI=1S/C12H19N3O6/c13-1-2-20-6-7-4-15(12(19)14-11(7)18)10-3-8(17)9(5-16)21-10/h4,8-10,16-17H,1-3,5-6,13H2,(H,14,18,19)/t8-,9+,10+/m0/s1]


chebiname: (beta-D-glucopyranosyloxymethyl)deoxyuridine
nameid: CHEBI:111513
iupacname: [2'-deoxy-5-[(beta-D-glucopyranosyloxy)methyl]uridine]
smiles: [C1=C(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(NC(N1[C@@H]3O[C@H](CO)[C@H](C3)O)=O)=O]
inchikey: [LHASLBSEALHFGO-URARBOGNSA-N]
othernames:
["5-(beta-d-glucopyranosyloxymethyl)-2'-deoxyuridine", '(beta-d-glucosyloxymethyl)deoxyuridine', 'dj', 'beta-d-glucosyl-homedu', 'beta-ghmu', 'alpha-(beta-d-glucopyranosyloxy)thymidine', '5-((glucopyranosyloxy)methyl)uridine']

inchi:
[InChI=1S/C16H24N2O11/c19-3-8-7(21)1-10(28-8)18-2-6(14(25)17-16(18)26)5-27-15-13(24)12(23)11(22)9(4-20)29-15/h2,7-13,15,19-24H,1,3-5H2,(H,17,25,26)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1]


chebiname: 5-hydroxymethyl-2'-deoxyuridine
nameid: CHEBI:61288
iupacname: [2'-deoxy-5-(hydroxymethyl)uridine]
smiles: [OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CO)c(=O)[nH]c1=O]
inchikey: [IPAVKOYJGUMINP-XLPZGREQSA-N]
othernames:
['1-((2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-(2-hydroxymethyl)pyrimidine-2,4(1h,3h)-dione', '5-hmdu', 'hmdu', 'alpha-hydroxy-thymidin', 'alpha-hydroxythymidine']

inchi:
[InChI=1S/C10H14N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2,6-8,13-15H,1,3-4H2,(H,11,16,17)/t6-,7+,8+/m0/s1]


chebiname: (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate
nameid: CHEBI:111511
iupacname: [2'-deoxy-5-[(beta-D-glucopyranosyloxy)methyl]uridine 5'-(dihydrogen phosphate)]
inchikey: [CNHXIILVVNMOCU-URARBOGNSA-N]
othernames:
["5-(beta-d-glucopyranosyloxymethyl)-2'-deoxyuridine 5'-monophosphate", 'djmp', 'beta-d-glucopyranosyloxymethyl-dump', 'beta-d-glucosyloxymethyl-dump', "(beta-d-glucosyloxymethyl)deoxyuridine 5'-monophosphate"]

smiles:
[C1=C(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(NC(N1[C@@H]3O[C@H](COP(=O)(O)O)[C@H](C3)O)=O)=O]

inchi:
[InChI=1S/C16H25N2O14P/c19-3-8-11(21)12(22)13(23)15(32-8)29-4-6-2-18(16(25)17-14(6)24)10-1-7(20)9(31-10)5-30-33(26,27)28/h2,7-13,15,19-23H,1,3-5H2,(H,17,24,25)(H2,26,27,28)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1]


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