EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:29044 - 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate

Default Structure
ChEBI IDCHEBI:29044
ChEBI Name2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate
Stars
Secondary ChEBI IDsCHEBI:11504, CHEBI:11505, CHEBI:16328, CHEBI:19447
Last Modified21 January 2016
DownloadsMolfile
FormulaC7H5NO5
Net Charge-2
Average Mass183.119
Monoisotopic Mass183.01787
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)/p-2
InChIKeyKACPVQQHDVBVFC-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is a oxo dicarboxylate (CHEBI:36147)
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is a α-amino-acid anion (CHEBI:33558)
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-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)
Incoming Relation(s)
cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is a 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-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 acid of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044)
IUPAC Name 
2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate