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 174.016
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 (Bronsted base).
(via oxoacid )
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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
Database Link Database
Aconitic_acid Wikipedia
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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 Waiting for Citations Types Sources
24702026 PubMed citation Europe PMC
24710945 PubMed citation Europe PMC
25011271 PubMed citation Europe PMC
Last Modified
17 July 2014