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 ZINC000004096448
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
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Citations
Last Modified
27 January 2016