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ChEBI
> Main
CHEBI:22210 - aconitate(3−)
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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