CHEBI:32805 - cis-aconitic acid

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ChEBI Name cis-aconitic acid ChEBI ID CHEBI:32805 ChEBI ASCII Name cis-aconitic acid Definition The cis-isomer of aconitic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:10482, CHEBI:23308 Supplier Information ZINC000005132038 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-IWQZZHSRSA-N SMILES OC(=O)C\C(=C\C(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 ) Biological Role(s): fundamental metabolite Any metabolite produced by all living cells. View more via ChEBI Ontology ChEBI Ontology Outgoing cis-aconitic acid (CHEBI:32805) has role fundamental metabolite (CHEBI:78675) cis-aconitic acid (CHEBI:32805) is a aconitic acid (CHEBI:22211) cis-aconitic acid (CHEBI:32805) is conjugate acid of cis-aconitate(3−) (CHEBI:16383) Incoming cis-aconitate(3−) (CHEBI:16383) is conjugate base of cis-aconitic acid (CHEBI:32805) IUPAC Name (1Z)-prop-1-ene-1,2,3-tricarboxylic acid Synonyms Sources (Z)-1-propene-1,2,3-tricarboxylic acid ChemIDplus cis-1-propene-1,2,3-tricarboxylic acid ChemIDplus cis-Aconitic acid KEGG COMPOUND Manual Xrefs Databases C00001177 KNApSAcK C00417 KEGG COMPOUND CIS-ACONITATE MetaCyc HMDB0000072 HMDB View more database links Registry Numbers Types Sources 1725829 Reaxys Registry Number Reaxys 585-84-2 CAS Registry Number KEGG COMPOUND 585-84-2 CAS Registry Number ChemIDplus Last Modified 23 October 2015