CHEBI:17516 - but-1-ene-1,2,4-tricarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name but-1-ene-1,2,4-tricarboxylic acid
ChEBI ID CHEBI:17516
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3226, CHEBI:22935, CHEBI:13920
Supplier Information
Download Molfile XML SDF
Formulae C7H8O6
C7H8O6
Net Charge 0
Average Mass 188.13480
Monoisotopic Mass 188.032
InChI InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3-
InChIKey BJYPZFUWWJSAKC-ARJAWSKDSA-N
SMILES OC(=O)CC\C(=C\C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing but-1-ene-1,2,4-tricarboxylic acid (CHEBI:17516) is a tricarboxylic acid (CHEBI:27093)
but-1-ene-1,2,4-tricarboxylic acid (CHEBI:17516) is conjugate acid of but-1-ene-1,2,4-tricarboxylate (CHEBI:58174)
Incoming (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid (CHEBI:15668) has functional parent but-1-ene-1,2,4-tricarboxylic acid (CHEBI:17516)
but-1-ene-1,2,4-tricarboxylate (CHEBI:58174) is conjugate base of but-1-ene-1,2,4-tricarboxylic acid (CHEBI:17516)
IUPAC Name
(1Z)-but-1-ene-1,2,4-tricarboxylic acid
Synonyms Sources
(Z)-1,2,4-But-1-enetricarboxylic acid KEGG COMPOUND
But-1-ene-1,2,4-tricarboxylate KEGG COMPOUND
cis-Homoaconitate KEGG COMPOUND
cis-homoaconitic acid UniProt
Homo-cis-aconitate KEGG COMPOUND
Database Link Database
C04002 KEGG COMPOUND
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Last Modified
28 July 2014