CHEBI:15745 - 2-aminomuconic 6-semialdehyde

ChEBI IDCHEBI:15745
ChEBI Name2-aminomuconic 6-semialdehyde
Stars
DefinitionA muconic semialdehyde having a 2-amino substituent.
Secondary ChEBI IDsCHEBI:1022, CHEBI:11525, CHEBI:11526, CHEBI:19474
Last Modified21 August 2017
DownloadsMolfile
FormulaC6H7NO3
Net Charge0
Average Mass141.126
Monoisotopic Mass141.04259
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)/b2-1-,5-3+
InChIKeyQCGTZPZKJPTAEP-REDYYMJGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-aminomuconic 6-semialdehyde (CHEBI:15745) has role mouse metabolite (CHEBI:75771)
2-aminomuconic 6-semialdehyde (CHEBI:15745) is a muconic semialdehyde (CHEBI:38436)
2-aminomuconic 6-semialdehyde (CHEBI:15745) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
2-aminomuconic 6-semialdehyde (CHEBI:15745) is conjugate acid of 2-aminomuconate 6-semialdehyde(1−) (CHEBI:57495)
2-aminomuconic 6-semialdehyde (CHEBI:15745) is tautomer of 2-aminomuconic 6-semialdehyde zwitterion (CHEBI:77634)
Incoming Relation(s)
2-aminomuconate 6-semialdehyde(1−) (CHEBI:57495) is conjugate base of 2-aminomuconic 6-semialdehyde (CHEBI:15745)
2-aminomuconic 6-semialdehyde zwitterion (CHEBI:77634) is tautomer of 2-aminomuconic 6-semialdehyde (CHEBI:15745)
IUPAC Name 
(2E,4Z)-2-amino-6-oxohexa-2,4-dienoic acid
Synonyms  Source
2-Aminomuconate semialdehydeKEGG COMPOUND
2-Aminomuconate 6-semialdehydeKEGG COMPOUND
2-aminomuconic semialdehydeChEBI
Manual XrefsDatabases
C03824KEGG COMPOUND
C03824KEGG COMPOUND
c0318UM-BBD
C00007492KNApSAcK