CHEBI:28727 - trans-vaccenic acid

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ChEBI Name trans-vaccenic acid ChEBI ID CHEBI:28727 ChEBI ASCII Name trans-vaccenic acid Definition The trans- isomer of vaccenic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:9918, CHEBI:27260 Supplier Information eMolecules:2725491, eMolecules:2725679, eMolecules:29917758, eMolecules:6842882, ZINC000085534336 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H34O2 Net Charge 0 Average Mass 282.46136 Monoisotopic Mass 282.25588 InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+ InChIKey UWHZIFQPPBDJPM-BQYQJAHWSA-N SMILES CCCCCC\C=C\CCCCCCCCCC(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 trans-vaccenic acid (CHEBI:28727) is a vaccenic acid (CHEBI:36023) trans-vaccenic acid (CHEBI:28727) is conjugate acid of trans-vaccenate(1−) (CHEBI:30828) Incoming (11E)-octadecenoyl-CoA (CHEBI:74395) has functional parent trans-vaccenic acid (CHEBI:28727) O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) has functional parent trans-vaccenic acid (CHEBI:28727) trans-vaccenate(1−) (CHEBI:30828) is conjugate base of trans-vaccenic acid (CHEBI:28727) trans-vaccenoyl group (CHEBI:27080) is substituent group from trans-vaccenic acid (CHEBI:28727) IUPAC Name (11E)-octadec-11-enoic acid Synonyms Sources (11E)-Octadecenoic acid KEGG COMPOUND (E)-11-octadecenoic acid ChemIDplus 11(E)-vaccenic acid ChEBI 18:1 trans-11 ChEBI C18:1 trans-11 ChEBI octadec-11(E)-enoic acid ChEBI trans-11-Octadecenoic acid KEGG COMPOUND trans-11-Octadecensäure ChEBI trans-octadec-11-enoic acid ChEBI TVA ChEBI Vaccenic acid KEGG COMPOUND Vaccenic acid KEGG COMPOUND Manual Xrefs Databases C00001240 KNApSAcK C08367 KEGG COMPOUND LMFA01030077 LIPID MAPS View more database links Registry Numbers Types Sources 1726566 Reaxys Registry Number Reaxys 693-72-1 CAS Registry Number KEGG COMPOUND 693-72-1 CAS Registry Number NIST Chemistry WebBook 693-72-1 CAS Registry Number ChemIDplus Citations Types Sources 15465769 PubMed citation Europe PMC 18275620 PubMed citation Europe PMC 19923390 PubMed citation Europe PMC Last Modified 18 January 2018

General Comment 2011-01-21 A natural trans fatty acid found in ruminant food produce, it is converted to the cis-9, trans-11 isomer of conjugated linoleic acid, which has anti-inflammatory effects.