CHEBI:995 - cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid
ChEBI ID CHEBI:995
ChEBI ASCII Name cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid
Definition The cis,cis-isomer of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H7NO5
Net Charge 0
Average Mass 185.13422
Monoisotopic Mass 185.03242
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)/b2-1-,5-4-
InChIKey KACPVQQHDVBVFC-OIFXTYEKSA-N
SMILES N\C(C(O)=O)=C(\C=C/C=O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) has role mouse metabolite (CHEBI:75771)
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)
cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) is conjugate acid of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994)
Incoming cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is conjugate base of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995)
IUPAC Name
(2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioic acid
Synonyms Sources
2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate KEGG COMPOUND
2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate KEGG COMPOUND
2-Amino-3-carboxymuconate semialdehyde KEGG COMPOUND
Manual Xref Database
C04409 KEGG COMPOUND
View more database links
Citations Waiting for Citations Types Sources
17234850 PubMed citation Europe PMC
25415278 PubMed citation Europe PMC
Last Modified
27 January 2016