EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:19448 - 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid

ChEBI IDCHEBI:19448
ChEBI Name2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid
Stars
DefinitionAn oxo dicarboxylic acid that is but-2-enedioic acid substituted by an amino group at position 2 and a 3-oxoprop-1-enyl group at position 3.
Last Modified26 March 2015
DownloadsMolfile
FormulaC7H7NO5
Net Charge0
Average Mass185.135
Monoisotopic Mass185.03242
SMILES[H]C(=O)C([H])=C([H])C(C(=O)O)=C(N)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)
InChIKeyKACPVQQHDVBVFC-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) has functional parent butenedioic acid (CHEBI:22958)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) has role human metabolite (CHEBI:77746)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) is a amino dicarboxylic acid (CHEBI:36164)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) is a muconic semialdehyde (CHEBI:38436)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) is a non-proteinogenic α-amino acid (CHEBI:83925)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) is a oxo dicarboxylic acid (CHEBI:36145)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) is conjugate acid of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044)
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)
Incoming Relation(s)
cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) is a 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is conjugate base of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448)
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)
IUPAC Name 
2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid
Manual XrefsDatabases
HMDB0001330HMDB
Registry NumbersSources
Beilstein:1950054Beilstein