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 No supplier information found for this compound.
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).
View more via ChEBI Ontology
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