CHEBI:16490 - S-adenosyl-4-methylthio-2-oxobutanoate

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ChEBI Name S-adenosyl-4-methylthio-2-oxobutanoate
ChEBI ID CHEBI:16490
ChEBI ASCII Name S-adenosyl-4-methylthio-2-oxobutanoate
Definition A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12758, CHEBI:22033
Supplier Information
Download Molfile XML SDF
Formula C15H19N5O6S
Net Charge 0
Average Mass 397.40746
Monoisotopic Mass 397.106
InChI 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
InChIKey UOKVQQMBGVMXPU-CJPDYEHRSA-N
SMILES C[S+](CCC(=O)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing S-adenosyl-4-methylthio-2-oxobutanoate (CHEBI:16490) has functional parent 4-methylthio-2-oxobutanoate (CHEBI:16723)
S-adenosyl-4-methylthio-2-oxobutanoate (CHEBI:16490) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
S-adenosyl-4-methylthio-2-oxobutanoate (CHEBI:16490) is a carboxylic acid anion (CHEBI:29067)
S-adenosyl-4-methylthio-2-oxobutanoate (CHEBI:16490) is a sulfonium betaine (CHEBI:35282)
S-adenosyl-4-methylthio-2-oxobutanoate (CHEBI:16490) is conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid (CHEBI:8944)
Incoming S-adenosyl-4-methylthio-2-oxobutanoic acid (CHEBI:8944) is conjugate acid of S-adenosyl-4-methylthio-2-oxobutanoate (CHEBI:16490)
IUPAC Name
4-[(5'-deoxyadenosin-5'-yl)(methyl)sulfaniumyl]-2-oxobutanoate
Synonyms Sources
4-[(5'-adenosyl)(methyl)sulfonio]-2-oxobutanoate ChEBI
4-[(5'-deoxyadenosin-5'-yl)(methyl)sulfonio]-2-oxobutanoate IUPAC
4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]-2-oxobutanoate IUPAC
[1-(adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulfonium IUPAC
S-adenosyl-4-methylsulfanyl-2-oxobutanoate UniProt
Manual Xref Database
S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE MetaCyc
View more database links
Registry Numbers Types Sources
9665212 Beilstein Registry Number Beilstein
9665212 Reaxys Registry Number Reaxys
Last Modified
20 July 2018