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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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 (Bronsted 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