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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−)
ChEBI ID CHEBI:77803
ChEBI ASCII Name 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-)
Definition A 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.).
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
InChIKey KACPVQQHDVBVFC-UHFFFAOYSA-M
SMILES [NH3+]C(C([O-])=O)=C(C=CC=O)C([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonym Source
2-amino-3-carboxymuconate 6-semialdehyde UniProt
Last Modified
06 June 2014