CHEBI:86053 - 18-hydroxyoleoyl-CoA

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ChEBI Name 18-hydroxyoleoyl-CoA ChEBI ID CHEBI:86053 Definition An ω-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 18-hydroxyoleic acid. Stars This entity has been manually annotated by the ChEBI Team. 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 C39H68N7O18P3S Net Charge 0 Average Mass 1047.98000 Monoisotopic Mass 1047.35544 InChI InChI=1S/C39H68N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,26-28,32-34,38,47,50-51H,5-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b4-3-/t28-,32-,33-,34+,38-/m1/s1 InChIKey MQACSUXWIYYZAK-UTNXWDCOSA-N SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCCO Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing 18-hydroxyoleoyl-CoA (CHEBI:86053) has functional parent oleic acid (CHEBI:16196) 18-hydroxyoleoyl-CoA (CHEBI:86053) is a ω-hydroxy fatty acyl-CoA (CHEBI:85212) 18-hydroxyoleoyl-CoA (CHEBI:86053) is a long-chain fatty acyl-CoA (CHEBI:33184) 18-hydroxyoleoyl-CoA (CHEBI:86053) is a monounsaturated fatty acyl-CoA (CHEBI:139575) 18-hydroxyoleoyl-CoA (CHEBI:86053) is a unsaturated fatty acyl-CoA (CHEBI:51006) 18-hydroxyoleoyl-CoA (CHEBI:86053) is conjugate acid of 18-hydroxyoleoyl-CoA(4−) (CHEBI:86044) Incoming 18-hydroxyoleoyl-CoA(4−) (CHEBI:86044) is conjugate base of 18-hydroxyoleoyl-CoA (CHEBI:86053) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(9Z)-18-hydroxyoctadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (9Z)-18-hydroxyoctadec-9-enoyl-CoA ChEBI (9Z)-18-hydroxyoctadec-9-enoyl-coenzyme A ChEBI (9Z)-18-hydroxyoctadecenoyl-CoA ChEBI (9Z)-18-hydroxyoctadecenoyl-coenzyme A ChEBI 18-hydroxyoleoyl-coenzyme A ChEBI Manual Xref Database CPD-17370 MetaCyc View more database links Last Modified 05 February 2018