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

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ChEBI Name cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−)
ChEBI ID CHEBI:77612
ChEBI ASCII Name cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-)
Definition A 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
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C7H6NO5
Net Charge -1
Average Mass 184.12680
Monoisotopic Mass 184.02515
InChI 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)/p-1/b2-1-,5-4-
InChIKey KACPVQQHDVBVFC-OIFXTYEKSA-M
SMILES [NH3+]\C(C([O-])=O)=C(\C=C/C=O)/C([O-])=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 α-amino-acid anion (CHEBI:33558)
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 conjugate acid of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994)
Incoming 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
Synonyms Sources
(2Z)-2-ammonio-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate IUPAC
(2Z,4Z)-2-amino-3-carboxymuconate 6-semialdehyde UniProt
Last Modified
02 May 2017