Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:44:57 UTC
Update Date2024-04-30 20:39:42 UTC
Metabolite IDMMDBc0049860
Metabolite Identification
Common Name(S)-5-Amino-3-oxohexanoate
Description(S)-5-Amino-3-oxohexanoate belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain (S)-5-Amino-3-oxohexanoate exists in all living organisms, ranging from bacteria to humans (S)-5-Amino-3-oxohexanoate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make (S)-5-amino-3-oxohexanoate a potential biomarker for the consumption of these foods (S)-5-Amino-3-oxohexanoate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on (S)-5-Amino-3-oxohexanoate.
Structure
Synonyms
ValueSource
(S)-5-Amino-3-oxohexanoic acidGenerator
(S)-5-amino-3-oxo-Hexanoic acidChEBI, HMDB
(S)-5-amino-3-oxo-HexanoateGenerator, HMDB
3-keto-5-AminohexanoateHMDB, MeSH
3-keto-5-Aminohexanoic acidHMDB
5-amino-3-OxohexanoateHMDB
5-amino-3-Oxohexanoic acidHMDB
(S)-5-Amino-3-oxohexanoateChEBI
3-oxo-5S-Amino-hexanoateGenerator, HMDB
Molecular FormulaC6H11NO3
Average Mass145.1564
Monoisotopic Mass145.073893223
IUPAC Name(5S)-5-amino-3-oxohexanoic acid
Traditional Name(S)-5-amino-3-oxohexanoic acid
CAS Registry Number19355-90-9
SMILES
C[C@H](N)CC(=O)CC(O)=O
InChI Identifier
InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChI KeyFAASBXNEOGMQHS-BYPYZUCNSA-N