Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:28:41 UTC
Update Date2024-04-30 19:56:04 UTC
Metabolite IDMMDBc0032953
Metabolite Identification
Common Name2-Amino-3-carboxymuconic acid semialdehyde
Description2-Amino-3-carboxymuconic acid semialdehyde (CAS: 16597-58-3) is an intermediate metabolite of the tryptophan-niacin catabolic pathway. Current interest in the degradation of tryptophan is mostly due to the role of quinolinate and other metabolites in several neuropathological conditions. Quinolinate is a neurotoxin formed nonenzymatically from 2-amino-3-carboxymuconic semialdehyde in mammalian tissues. 2-Amino-3-carboxymuconic acid semialdehyde is enzymatically converted into 2-aminomuconate via 2-aminomuconic semialdehyde (PMID: 10510494 , 16267312 , 14275129 ).
Structure
Synonyms
ValueSource
2-Amino-3-carboxymuconate semialdehydeGenerator
Molecular FormulaC7H7NO5
Average Mass185.1342
Monoisotopic Mass185.032422339
IUPAC Name2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid
Traditional Name2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid
CAS Registry Number16597-58-3
SMILES
NC(C(O)=O)=C(C=CC=O)C(O)=O
InChI Identifier
InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)
InChI KeyKACPVQQHDVBVFC-UHFFFAOYSA-N