CHEBI:32806 - trans-aconitic acid

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ChEBI Name trans-aconitic acid ChEBI ID CHEBI:32806 ChEBI ASCII Name trans-aconitic acid Definition The trans-isomer of aconitic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:10719, CHEBI:27070 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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)/b3-1+ InChIKey GTZCVFVGUGFEME-HNQUOIGGSA-N SMILES OC(=O)C\C(=C/C(O)=O)C(O)=O Metabolite of Species Details Daphnia magna (NCBI:txid35525) See: Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): fundamental metabolite Any metabolite produced by all living cells. View more via ChEBI Ontology ChEBI Ontology Outgoing trans-aconitic acid (CHEBI:32806) has role fundamental metabolite (CHEBI:78675) trans-aconitic acid (CHEBI:32806) is a aconitic acid (CHEBI:22211) trans-aconitic acid (CHEBI:32806) is conjugate acid of trans-aconitate(3−) (CHEBI:15708) Incoming trans-aconitate(3−) (CHEBI:15708) is conjugate base of trans-aconitic acid (CHEBI:32806) IUPAC Name (1E)-prop-1-ene-1,2,3-tricarboxylic acid Synonyms Sources (1E)-1-propene-1,2,3-tricarboxylic acid ChemIDplus (E)-1-propene-1,2,3-tricarboxylic acid ChemIDplus trans-Aconitic acid KEGG COMPOUND Manual Xrefs Databases C02341 KEGG COMPOUND CPD-225 MetaCyc ECMDB00958 ECMDB HMDB0000958 HMDB TRA PDBeChem YMDB00340 YMDB View more database links Registry Numbers Types Sources 1606182 Gmelin Registry Number Gmelin 1725830 Reaxys Registry Number Reaxys 1725830 Beilstein Registry Number Beilstein 4023-65-8 CAS Registry Number KEGG COMPOUND 4023-65-8 CAS Registry Number ChemIDplus Citations Types Sources 16662564 PubMed citation Europe PMC 17747267 PubMed citation Europe PMC 21670527 PubMed citation Europe PMC 2597432 PubMed citation Europe PMC 3339476 PubMed citation Europe PMC 6625167 PubMed citation Europe PMC Last Modified 23 October 2015