CHEBI:27821 - (S)-methylmalonaldehydic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-methylmalonaldehydic acid
ChEBI ID CHEBI:27821
ChEBI ASCII Name (S)-methylmalonaldehydic acid
Definition A 2-methyl-3-oxopropanoic acid that has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:427, CHEBI:18789
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C4H6O3
Net Charge 0
Average Mass 102.08860
Monoisotopic Mass 102.03169
InChI InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1
InChIKey VOKUMXABRRXHAR-VKHMYHEASA-N
SMILES C[C@@H](C=O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-methylmalonaldehydic acid (CHEBI:27821) has functional parent propionic acid (CHEBI:30768)
(S)-methylmalonaldehydic acid (CHEBI:27821) has role mouse metabolite (CHEBI:75771)
(S)-methylmalonaldehydic acid (CHEBI:27821) is a 2-methyl-3-oxopropanoic acid (CHEBI:16256)
(S)-methylmalonaldehydic acid (CHEBI:27821) is a aldehydic acid (CHEBI:26643)
(S)-methylmalonaldehydic acid (CHEBI:27821) is conjugate acid of (S)-methylmalonate semialdehyde (CHEBI:62413)
Incoming (S)-methylmalonate semialdehyde (CHEBI:62413) is conjugate base of (S)-methylmalonaldehydic acid (CHEBI:27821)
IUPAC Name
(2S)-2-methyl-3-oxopropanoic acid
Synonym Source
(S)-Methylmalonate semialdehyde KEGG COMPOUND
Manual Xref Database
C06002 KEGG COMPOUND
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Registry Number Type Source
4364493 Beilstein Registry Number Beilstein
Last Modified
23 June 2022