Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:44:56 UTC
Update Date2024-04-30 20:39:39 UTC
Metabolite IDMMDBc0049859
Metabolite Identification
Common Name(3S,5S)-3,5-Diaminocaproate
Description(3S,5S)-3,5-Diaminohexanoate, also known as (3S,5S)-3,5-diaminocaproic acid or L-erythro-3,5-diaminohexanoate, belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom (3S,5S)-3,5-Diaminohexanoate exists in all living organisms, ranging from bacteria to humans (3S,5S)-3,5-Diaminohexanoate 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 (3S,5S)-3,5-diaminohexanoate a potential biomarker for the consumption of these foods (3S,5S)-3,5-Diaminohexanoate 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 (3S,5S)-3,5-Diaminohexanoate.
Structure
Synonyms
ValueSource
(3S,5S)-3,5-Diaminocaproic acidChEBI
L-Erythro-3,5-diaminohexanoic acidChEBI
L-Erythro-3,5-diaminohexanoateKegg
(3S,5S)-3,5-DiaminocaproateKegg
L-Erythro-3,5-diaminocaproateKegg
L-Erythro-3,5-diaminocaproic acidGenerator
(3S,5S)-3,5-Diaminohexanoic acidGenerator
3,5-diamino-HexanoateHMDB
3,5-diamino-Hexanoic acidHMDB
3,5-DiaminohexanoateHMDB
3,5-Diaminohexanoic acidHMDB
(3S,5S)-3,5-DiaminohexanoateGenerator
3,5-Diaminohexanoate dihydrochlorideMeSH, HMDB
Molecular FormulaC6H14N2O2
Average Mass146.1876
Monoisotopic Mass146.105527702
IUPAC Name(3S,5S)-3,5-diaminohexanoic acid
Traditional NameL-erythro-3,5-diaminohexanoate
CAS Registry NumberNot Available
SMILES
C[C@H](N)C[C@H](N)CC(O)=O
InChI Identifier
InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChI KeyNGDLSXMSQYUVSJ-WHFBIAKZSA-N