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CHEBI:77803 - 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−)

ChEBI IDCHEBI:77803
ChEBI Name2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−)
Stars
ASCII Name2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-)
DefinitionA dicarboxylic acid monoanion that is the conjugate base of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified6 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6NO5
Net Charge-1
Average Mass184.127
Monoisotopic Mass184.02515
SMILES[H]C(=O)C([H])=C([H])C(C(=O)[O-])=C([NH3+])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
InChIKeyKACPVQQHDVBVFC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77803) is a dicarboxylic acid monoanion (CHEBI:35695)
2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77803) is conjugate acid of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044)
2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77803) is conjugate base of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448)
Incoming Relation(s)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) is conjugate acid of 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77803)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is conjugate base of 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77803)
IUPAC Name 
2-azaniumyl-3-(3-oxoprop-1-enyl)but-2-enedioate
UniProt Name  Source
2-amino-3-carboxymuconate 6-semialdehydeUniProt