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CHEBI:22211 - aconitic acid

ChEBI IDCHEBI:22211
ChEBI Nameaconitic acid
Stars
DefinitionA tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3.
Last Modified17 July 2014
DownloadsMolfile
FormulaC6H6O6
Net Charge0
Average Mass174.108
Monoisotopic Mass174.01644
SMILESO=C(O)C=C(CC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyGTZCVFVGUGFEME-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
aconitic acid (CHEBI:22211) is a tricarboxylic acid (CHEBI:27093)
aconitic acid (CHEBI:22211) is conjugate acid of aconitate(3−) (CHEBI:22210)
Incoming Relation(s)
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  Source
1-propene-1,2,3-tricarboxylic acidChemIDplus
achilleic acidChemIDplus
citridic acidChemIDplus
equisetic acidChemIDplus
3-carboxy-2-pentenedioic acidChemIDplus
Manual XrefsDatabases
Aconitic_acidWikipedia
Registry NumbersSources
Gmelin:185280Gmelin
Reaxys:1725828Reaxys
CAS:499-12-7ChemIDplus
Citations