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CHEBI:77612 - cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−)

ChEBI IDCHEBI:77612
ChEBI Namecis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−)
Stars
ASCII Namecis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-)
DefinitionA dicarboxylic acid anion that is the major structure at pH 7.3 of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid
Last Modified2 May 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6NO5
Net Charge-1
Average Mass184.127
Monoisotopic Mass184.02515
SMILES[NH3+]/C(C(=O)[O-])=C(/C=C\C=O)C(=O)[O-]
InChIInChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-1/b2-1-,5-4-
InChIKeyKACPVQQHDVBVFC-OIFXTYEKSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77612) has role human metabolite (CHEBI:77746)
cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77612) is a dicarboxylic acid anion (CHEBI:35693)
cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77612) is a α-amino-acid anion (CHEBI:33558)
cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77612) is conjugate acid of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994)
Incoming Relation(s)
cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is conjugate base of cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77612)
IUPAC Name 
(2Z)-2-azaniumyl-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate
Synonym  Source
(2Z)-2-ammonio-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioateIUPAC
UniProt Name  Source
(2Z,4Z)-2-amino-3-carboxymuconate 6-semialdehydeUniProt