EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57495 - 2-aminomuconate 6-semialdehyde(1−)

ChEBI IDCHEBI:57495
ChEBI Name2-aminomuconate 6-semialdehyde(1−)
Stars
ASCII Name2-aminomuconate 6-semialdehyde(1-)
DefinitionConjugate base of 2-aminomuconic 6-semialdehyde arsing from deprotonation of the carboxylic acid function.
Last Modified17 April 2014
DownloadsMolfile
FormulaC6H6NO3
Net Charge-1
Average Mass140.118
Monoisotopic Mass140.03532
SMILES[H]C(=O)/C=C\C=C(\N)C(=O)[O-]
InChIInChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/p-1/b2-1-,5-3+
InChIKeyQCGTZPZKJPTAEP-REDYYMJGSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-aminomuconate 6-semialdehyde(1−) (CHEBI:57495) has role human metabolite (CHEBI:77746)
2-aminomuconate 6-semialdehyde(1−) (CHEBI:57495) is a α-amino-acid anion (CHEBI:33558)
2-aminomuconate 6-semialdehyde(1−) (CHEBI:57495) is conjugate base of 2-aminomuconic 6-semialdehyde (CHEBI:15745)
Incoming Relation(s)
2-aminomuconic 6-semialdehyde (CHEBI:15745) is conjugate acid of 2-aminomuconate 6-semialdehyde(1−) (CHEBI:57495)
IUPAC Name 
(2E,4Z)-2-amino-6-oxohexa-2,4-dienoate
Registry NumbersSources
Beilstein:10157394Beilstein