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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate
ChEBI ID CHEBI:29044
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11504, CHEBI:11505, CHEBI:16328, CHEBI:19447
Supplier Information
Download Molfile XML SDF
Formula C7H5NO5
Net Charge -2
Average Mass 183.11834
Monoisotopic Mass 183.017
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-2
InChIKey KACPVQQHDVBVFC-UHFFFAOYSA-L
SMILES [H]C(=O)C([H])=C([H])C(C([O-])=O)=C(N)C([O-])=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 α-amino-acid anion (CHEBI:33558)
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 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 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
Last Modified
21 January 2016
General Comments
2005-03-18 The substituent name '3-oxoprop-2-enyl' is incorrect but is used in various databases.
2005-03-18 The naturally occurring compound is the cis,cis isomer: (2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate.