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CHEBI:72712 - cis-trihomoaconitate(3−)

Default Structure
ChEBI IDCHEBI:72712
ChEBI Namecis-trihomoaconitate(3−)
Stars
ASCII Namecis-trihomoaconitate(3-)
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-trihomoaconitic acid; major species at pH 7.3.
Last Modified20 August 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H9O6
Net Charge-3
Average Mass213.165
Monoisotopic Mass213.04156
SMILESO=C([O-])/C=C(/CCCCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b6-5-
InChIKeyNGULBISQWGMRGK-WAYWQWQTSA-K
ChEBI Ontology
Outgoing Relation(s)
cis-trihomoaconitate(3−) (CHEBI:72712) is a tricarboxylic acid trianion (CHEBI:27092)
cis-trihomoaconitate(3−) (CHEBI:72712) is conjugate base of cis-trihomoaconitic acid (CHEBI:72711)
Incoming Relation(s)
cis-trihomoaconitic acid (CHEBI:72711) is conjugate acid of cis-trihomoaconitate(3−) (CHEBI:72712)
IUPAC Name 
(1Z)-hex-1-ene-1,2,6-tricarboxylate
Synonyms  Source
cis-(homo)3aconitateMetaCyc
cis-(homo)3aconitate(3−)SUBMITTER
(Z)-1,2,6-hex-1-enetricarboxylate(3−)SUBMITTER
(Z)-trihomoaconitate(3−)MetaCyc
UniProt Name  Source
cis-(homo)3aconitateUniProt
Manual XrefsDatabases
CPD-319MetaCyc