CHEBI:15530 - linoleoyl-CoA

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name linoleoyl-CoA ChEBI ID CHEBI:15530 Definition An octadecadienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of linoleic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:6480, CHEBI:14516, CHEBI:25049 Supplier Information ChemicalBook:CB4340173, eMolecules:25692690, ZINC000085545162 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C39H66N7O17P3S Net Charge 0 Average Mass 1029.96560 Monoisotopic Mass 1029.34488 InChI InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1 InChIKey YECLLIMZHNYFCK-RRNJGNTNSA-N SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing linoleoyl-CoA (CHEBI:15530) has functional parent coenzyme A (CHEBI:15346) linoleoyl-CoA (CHEBI:15530) has role mouse metabolite (CHEBI:75771) linoleoyl-CoA (CHEBI:15530) is a linoleoyl bioconjugate (CHEBI:76186) linoleoyl-CoA (CHEBI:15530) is a octadecadienoyl-CoA (CHEBI:139578) linoleoyl-CoA (CHEBI:15530) is conjugate acid of linoleoyl-CoA(4−) (CHEBI:57383) Incoming linoleoyl-CoA(4−) (CHEBI:57383) is conjugate base of linoleoyl-CoA (CHEBI:15530) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-octadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (9Z,12Z)-Octadecadienoyl-CoA KEGG COMPOUND Linoleoyl-CoA KEGG COMPOUND Manual Xref Database C02050 KEGG COMPOUND View more database links Last Modified 02 February 2018