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CHEBI:72710 - cis-dihomoaconitate(3−)

Default Structure
ChEBI IDCHEBI:72710
ChEBI Namecis-dihomoaconitate(3−)
Stars
ASCII Namecis-dihomoaconitate(3-)
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-dihomoaconitic acid; major species at pH 7.3.
Last Modified20 August 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H7O6
Net Charge-3
Average Mass199.138
Monoisotopic Mass199.02591
SMILESO=C([O-])/C=C(/CCCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/p-3/b5-4-
InChIKeyWXZASCSXAMHFCX-PLNGDYQASA-K
ChEBI Ontology
Outgoing Relation(s)
cis-dihomoaconitate(3−) (CHEBI:72710) is a tricarboxylic acid trianion (CHEBI:27092)
cis-dihomoaconitate(3−) (CHEBI:72710) is conjugate base of cis-dihomoaconitic acid (CHEBI:72708)
Incoming Relation(s)
cis-dihomoaconitic acid (CHEBI:72708) is conjugate acid of cis-dihomoaconitate(3−) (CHEBI:72710)
IUPAC Name 
(1Z)-pent-1-ene-1,2,5-tricarboxylate
Synonyms  Source
cis-(homo)2aconitateMetaCyc
cis-(homo)2aconitate(3−)SUBMITTER
(Z)-1,2,5-pent-1-enetricarboxylate(3−)SUBMITTER
(Z)-dihomoaconitate(3−)ChEBI
UniProt Name  Source
cis-(homo)2aconitateUniProt
Manual XrefsDatabases
CPD-153MetaCyc