CHEBI:16717 - (Z)-but-2-ene-1,2,3-tricarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (Z)-but-2-ene-1,2,3-tricarboxylic acid
ChEBI ID CHEBI:16717
ChEBI ASCII Name (Z)-but-2-ene-1,2,3-tricarboxylic acid
Definition A tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11084, CHEBI:456, CHEBI:18819
Supplier Information
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Formula C7H8O6
Net Charge 0
Average Mass 188.13480
Monoisotopic Mass 188.032
InChI InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-
InChIKey NUZLRKBHOBPTQV-ARJAWSKDSA-N
SMILES C\C(C(O)=O)=C(/CC(O)=O)C(O)=O
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717) has role Escherichia coli metabolite (CHEBI:76971)
(Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717) is a tricarboxylic acid (CHEBI:27093)
(Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717) is conjugate acid of (Z)-but-2-ene-1,2,3-tricarboxylate (CHEBI:57872)
Incoming (Z)-but-2-ene-1,2,3-tricarboxylate (CHEBI:57872) is conjugate base of (Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717)
IUPAC Name
(2Z)-but-2-ene-1,2,3-tricarboxylic acid
Synonyms Sources
(Z)-but-2-ene-1,2,3-tricarboxylate ChEBI
(Z)-But-2-ene-1,2,3-tricarboxylate KEGG COMPOUND
alpha-Methyl-cis-aconitate ChemIDplus
alpha-Methylaconitate ChemIDplus
cis-2-Butene-1,2,3-tricarboxylic acid ChemIDplus
cis-2-Methylaconitate KEGG COMPOUND
Database Link Database
C04225 KEGG COMPOUND
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Registry Number Type Source
6061-93-4 CAS Registry Number ChemIDplus
Last Modified
25 January 2016