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CHEBI:86053 - 18-hydroxyoleoyl-CoA

ChEBI IDCHEBI:86053
ChEBI Name18-hydroxyoleoyl-CoA
Stars
DefinitionAn 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.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC39H68N7O18P3S
Net Charge0
Average Mass1047.993
Monoisotopic Mass1047.35544
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC/C=C\CCCCCCCCO
InChIInChI=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
InChIKeyMQACSUXWIYYZAK-UTNXWDCOSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
18-hydroxyoleoyl-CoA (CHEBI:86053) has functional parent oleic acid (CHEBI:16196)
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 a ω-hydroxy fatty acyl-CoA (CHEBI:85212)
18-hydroxyoleoyl-CoA (CHEBI:86053) is conjugate acid of 18-hydroxyoleoyl-CoA(4−) (CHEBI:86044)
Incoming Relation(s)
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  Source
(9Z)-18-hydroxyoctadec-9-enoyl-coenzyme AChEBI
(9Z)-18-hydroxyoctadecenoyl-coenzyme AChEBI
(9Z)-18-hydroxyoctadec-9-enoyl-CoAChEBI
(9Z)-18-hydroxyoctadecenoyl-CoAChEBI
18-hydroxyoleoyl-coenzyme AChEBI
Manual XrefsDatabases
CPD-17370MetaCyc