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> Main
CHEBI:22211 - aconitic acid
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ChEBI Name
aconitic acid
ChEBI ID
CHEBI:22211
Definition
A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H6O6
Net Charge
0
Average Mass
174.10824
Monoisotopic Mass
174.01644
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)
InChIKey
GTZCVFVGUGFEME-UHFFFAOYSA-N
SMILES
OC(=O)CC(=CC(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
aconitic acid (
CHEBI:22211
)
is a
tricarboxylic acid (
CHEBI:27093
)
aconitic acid (
CHEBI:22211
)
is conjugate acid of
aconitate(3−) (
CHEBI:22210
)
Incoming
cis
-aconitic acid (
CHEBI:32805
)
is a
aconitic acid (
CHEBI:22211
)
trans
-aconitic acid (
CHEBI:32806
)
is a
aconitic acid (
CHEBI:22211
)
aconitate(3−) (
CHEBI:22210
)
is conjugate base of
aconitic acid (
CHEBI:22211
)
IUPAC Name
prop-1-ene-1,2,3-tricarboxylic acid
Synonyms
Sources
1-propene-1,2,3-tricarboxylic acid
ChemIDplus
3-carboxy-2-pentenedioic acid
ChemIDplus
achilleic acid
ChemIDplus
citridic acid
ChemIDplus
equisetic acid
ChemIDplus
Manual Xref
Database
Aconitic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
1725828
Beilstein Registry Number
Beilstein
1725828
Reaxys Registry Number
Reaxys
185280
Gmelin Registry Number
Gmelin
499-12-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
24702026
PubMed citation
Europe PMC
24710945
PubMed citation
Europe PMC
25011271
PubMed citation
Europe PMC
Last Modified
17 July 2014