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CHEBI:62413 - (S)-methylmalonate semialdehyde

ChEBI IDCHEBI:62413
ChEBI Name(S)-methylmalonate semialdehyde
Stars
ASCII Name(S)-methylmalonate semialdehyde
Definition2-Methyl-3-oxopropanoate with S configuration at the chiral centre.
Last Modified11 July 2023
SubmitterEugeni Belda
DownloadsMolfile
FormulaC4H5O3
Net Charge-1
Average Mass101.081
Monoisotopic Mass101.02442
SMILESC[C@@H](C=O)C(=O)[O-]
InChIInChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1/t3-/m0/s1
InChIKeyVOKUMXABRRXHAR-VKHMYHEASA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(S)-methylmalonate semialdehyde (CHEBI:62413) is a 2-methyl-3-oxopropanoate (CHEBI:57700)
(S)-methylmalonate semialdehyde (CHEBI:62413) is conjugate base of (S)-methylmalonaldehydic acid (CHEBI:27821)
(S)-methylmalonate semialdehyde (CHEBI:62413) is enantiomer of (R)-methylmalonate semialdehyde (CHEBI:141212)
Incoming Relation(s)
(S)-methylmalonaldehydic acid (CHEBI:27821) is conjugate acid of (S)-methylmalonate semialdehyde (CHEBI:62413)
(R)-methylmalonate semialdehyde (CHEBI:141212) is enantiomer of (S)-methylmalonate semialdehyde (CHEBI:62413)
IUPAC Name 
(2S)-2-methyl-3-oxopropanoate
Synonyms  Source
(S)-2-methyl-3-oxopropanoate (1−)SUBMITTER
(S)-ch3-malonate-semialdehyde (1−)SUBMITTER
(S)-Me-malonate-semialdehyde(1−)ChEBI
UniProt Name  Source
(S)-2-methyl-3-oxopropanoateUniProt
Manual XrefsDatabases
CH3-MALONATE-S-ALDMetaCyc