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

ChEBI IDCHEBI:17516
ChEBI Namebut-1-ene-1,2,4-tricarboxylic acid
Stars
Secondary ChEBI IDsCHEBI:3226, CHEBI:13920, CHEBI:22935
Last Modified15 January 2019
DownloadsMolfile
FormulaC7H8O6
Net Charge0
Average Mass188.135
Monoisotopic Mass188.03209
SMILESO=C(O)/C=C(/CCC(=O)O)C(=O)O
InChIInChI=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-
InChIKeyBJYPZFUWWJSAKC-ARJAWSKDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
But-1-ene-1,2,4-tricarboxylateKEGG COMPOUND
Homo-cis-aconitateKEGG COMPOUND
cis-HomoaconitateKEGG COMPOUND
(Z)-1,2,4-But-1-enetricarboxylic acidKEGG COMPOUND
Manual XrefsDatabases
C04002KEGG COMPOUND
C04002KEGG COMPOUND