CHEBI:16423 - (9Z)-octadec-9-en-12-ynoic acid

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ChEBI Name (9Z)-octadec-9-en-12-ynoic acid ChEBI ID CHEBI:16423 ChEBI ASCII Name (9Z)-octadec-9-en-12-ynoic acid Definition An octadecenynoic acid having a cis-double bond at C-9 and a triple bond at position 12. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3913, CHEBI:3912, CHEBI:23407 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 C18H30O2 Net Charge 0 Average Mass 278.42960 Monoisotopic Mass 278.22458 InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9- InChIKey SAOSKFBYQJLQOS-KTKRTIGZSA-N SMILES CCCCCC#CC\C=C/CCCCCCCC(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 (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) is a octadecenynoic acid (CHEBI:25635) (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) is conjugate acid of crepenynate (CHEBI:14030) Incoming (9Z)-octadec-9-en-12-ynoyl-containing glycerolipid (CHEBI:88260) has functional parent (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) crepenynate (CHEBI:14030) is conjugate base of (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) (9Z)-octadec-9-en-12-ynoyl group (CHEBI:86295) is substituent group from (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) IUPAC Name (9Z)-octadec-9-en-12-ynoic acid Synonyms Sources (Z)-9-Octadecen-12-ynoic acid KEGG COMPOUND (Z)-octadec-9-en-12-ynoic acid ChEBI 9c12a-18:2 ChEBI cis-9-Octadecen-12-ynoic acid ChemIDplus cis-Octadec-9-en-12-in-1-säure ChEBI Crepenynic acid KEGG COMPOUND Crepenynsäure ChEBI Manual Xrefs Databases C00001278 KNApSAcK C07289 KEGG COMPOUND LMFA01030742 LIPID MAPS View more database links Registry Numbers Types Sources 1911942 Reaxys Registry Number Reaxys 2277-31-8 CAS Registry Number KEGG COMPOUND 2277-31-8 CAS Registry Number ChemIDplus Citations Types Sources 17329262 PubMed citation Europe PMC 17805875 PubMed citation Europe PMC 2822134 PubMed citation Europe PMC 4086624 PubMed citation Europe PMC 4676643 PubMed citation Europe PMC 5028298 PubMed citation Europe PMC Last Modified 09 November 2015

General Comment 2011-02-13 Found in seed oils, it is a potential inhibitor of essential fatty acid metabolism, and has been linked with mortality in mammals.