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CHEBI:58174 - but-1-ene-1,2,4-tricarboxylate

ChEBI IDCHEBI:58174
ChEBI Namebut-1-ene-1,2,4-tricarboxylate
Stars
DefinitionTricarboxylate anion of but-1-ene-1,2,4-tricarboxylic acid; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC7H5O6
Net Charge-3
Average Mass185.111
Monoisotopic Mass185.01026
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)/p-3/b4-3-
InChIKeyBJYPZFUWWJSAKC-ARJAWSKDSA-K
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
but-1-ene-1,2,4-tricarboxylate (CHEBI:58174) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
but-1-ene-1,2,4-tricarboxylate (CHEBI:58174) is a tricarboxylic acid trianion (CHEBI:27092)
but-1-ene-1,2,4-tricarboxylate (CHEBI:58174) is conjugate base of but-1-ene-1,2,4-tricarboxylic acid (CHEBI:17516)
Incoming Relation(s)
but-1-ene-1,2,4-tricarboxylic acid (CHEBI:17516) is conjugate acid of but-1-ene-1,2,4-tricarboxylate (CHEBI:58174)
IUPAC Name 
(1Z)-but-1-ene-1,2,4-tricarboxylate
Synonyms  Source
cis-homoaconitate trianionChEBI
but-1-ene-1,2,4-tricarboxylate trianionChEBI
cis-homoaconitate(3−)ChEBI
cis-homoaconitateChEBI
UniProt Name  Source
cis-homoaconitateUniProt