CHEBI:62413 - (S)-methylmalonate semialdehyde

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ChEBI Name (S)-methylmalonate semialdehyde
ChEBI ID CHEBI:62413
ChEBI ASCII Name (S)-methylmalonate semialdehyde
Definition 2-Methyl-3-oxopropanoate with S configuration at the chiral centre.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C4H5O3
Net Charge -1
Average Mass 101.08070
Monoisotopic Mass 101.02442
InChI InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1/t3-/m0/s1
InChIKey VOKUMXABRRXHAR-VKHMYHEASA-M
SMILES C[C@@H](C=O)C([O-])=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 2-methyl-3-oxopropanoate )
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ChEBI Ontology
Outgoing (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 (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 Sources
(S)-2-methyl-3-oxopropanoate (1−) SUBMITTER
(S)-ch3-malonate-semialdehyde (1−) SUBMITTER
(S)-Me-malonate-semialdehyde(1−) ChEBI
(S)-methylmalonate semialdehyde UniProt
Manual Xref Database
CH3-MALONATE-S-ALD MetaCyc
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Last Modified
09 August 2011