CHEBI:22210 - aconitate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aconitate(3−)
ChEBI ID CHEBI:22210
ChEBI ASCII Name aconitate(3-)
Definition A tricarboxylic acid trianion that is the conjugate base of aconitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H3O6
Net Charge -3
Average Mass 171.08442
Monoisotopic Mass 170.99461
InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKey GTZCVFVGUGFEME-UHFFFAOYSA-K
SMILES [O-]C(=O)CC(=CC([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing aconitate(3−) (CHEBI:22210) is a tricarboxylic acid trianion (CHEBI:27092)
aconitate(3−) (CHEBI:22210) is conjugate base of aconitic acid (CHEBI:22211)
Incoming cis-aconitate(3−) (CHEBI:16383) is a aconitate(3−) (CHEBI:22210)
trans-aconitate(3−) (CHEBI:15708) is a aconitate(3−) (CHEBI:22210)
aconitic acid (CHEBI:22211) is conjugate acid of aconitate(3−) (CHEBI:22210)
IUPAC Name
prop-1-ene-1,2,3-tricarboxylate
Registry Number Type Source
364851 Gmelin Registry Number Gmelin
Last Modified
17 July 2014