CHEBI:72712 - cis-trihomoaconitate(3−)

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ChEBI Name cis-trihomoaconitate(3−)
ChEBI ID CHEBI:72712
ChEBI ASCII Name cis-trihomoaconitate(3-)
Definition A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-trihomoaconitic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C9H9O6
Net Charge -3
Average Mass 213.16420
Monoisotopic Mass 213.04156
InChI InChI=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-
InChIKey NGULBISQWGMRGK-WAYWQWQTSA-K
SMILES [O-]C(=O)CCCC\C(=C\C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
(Z)-1,2,6-hex-1-enetricarboxylate(3−) SUBMITTER
(Z)-trihomoaconitate(3−) MetaCyc
cis-(homo)3aconitate MetaCyc
cis-(homo)3aconitate UniProt
cis-(homo)3aconitate(3−) SUBMITTER
Manual Xref Database
CPD-319 MetaCyc
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Last Modified
20 August 2021