Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:23:02 UTC
Update Date2022-08-12 20:09:02 UTC
Metabolite IDMMDBc0054658
Metabolite Identification
Common NameS-adenosyl-4-methylsulfanyl-2-oxobutanoic acid
Description
Structure
Synonyms
ValueSource
4-[(5'-Adenosyl)(methyl)sulfonio]-2-oxobutanoateChEBI
4-[(5'-Deoxyadenosin-5'-yl)(methyl)sulfonio]-2-oxobutanoateChEBI
4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]-2-oxobutanoateChEBI
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulfoniumChEBI
S-Adenosyl-4-methylsulfanyl-2-oxobutanoateChEBI
4-[(5'-Adenosyl)(methyl)sulfonio]-2-oxobutanoic acidGenerator
4-[(5'-Adenosyl)(methyl)sulphonio]-2-oxobutanoateGenerator
4-[(5'-Adenosyl)(methyl)sulphonio]-2-oxobutanoic acidGenerator
4-[(5'-Deoxyadenosin-5'-yl)(methyl)sulfonio]-2-oxobutanoic acidGenerator
4-[(5'-Deoxyadenosin-5'-yl)(methyl)sulphonio]-2-oxobutanoateGenerator
4-[(5'-Deoxyadenosin-5'-yl)(methyl)sulphonio]-2-oxobutanoic acidGenerator
4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]-2-oxobutanoic acidGenerator
4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulphonio]-2-oxobutanoateGenerator
4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulphonio]-2-oxobutanoic acidGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulfoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulphoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulphoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulfoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulphoniumGenerator
S-Adenosyl-4-methylsulfanyl-2-oxobutanoic acidGenerator
S-Adenosyl-4-methylsulphanyl-2-oxobutanoateGenerator
S-Adenosyl-4-methylsulphanyl-2-oxobutanoic acidGenerator
S-Adenosyl-4-methylthio-2-oxobutanoic acidGenerator
Molecular FormulaC15H19N5O6S
Average Mass397.406
Monoisotopic Mass397.105604055
IUPAC Name4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfaniumyl)-2-oxobutanoate
Traditional Name4-({[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfaniumyl)-2-oxobutanoate
CAS Registry NumberNot Available
SMILES
C[S+](CCC(=O)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N
InChI Identifier
InChI=1S/C15H19N5O6S/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25)/t8-,10-,11-,14-,27?/m1/s1
InChI KeyUOKVQQMBGVMXPU-CJPDYEHRSA-N