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CHEBI:86044 - 18-hydroxyoleoyl-CoA(4−)

ChEBI IDCHEBI:86044
ChEBI Name18-hydroxyoleoyl-CoA(4−)
Stars
ASCII Name18-hydroxyoleoyl-CoA(4-)
DefinitionA monounsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 18-hydroxyoleoyl-CoA; major species at pH 7.3.
Last Modified17 June 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC39H64N7O18P3S
Net Charge-4
Average Mass1043.961
Monoisotopic Mass1043.32633
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)/p-4/b4-3-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyMQACSUXWIYYZAK-UTNXWDCOSA-J
ChEBI Ontology
Outgoing Relation(s)
18-hydroxyoleoyl-CoA(4−) (CHEBI:86044) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
18-hydroxyoleoyl-CoA(4−) (CHEBI:86044) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
18-hydroxyoleoyl-CoA(4−) (CHEBI:86044) is a ω-hydroxy fatty acyl-CoA(4−) (CHEBI:84204)
18-hydroxyoleoyl-CoA(4−) (CHEBI:86044) is conjugate base of 18-hydroxyoleoyl-CoA (CHEBI:86053)
Incoming Relation(s)
18-hydroxyoleoyl-CoA (CHEBI:86053) is conjugate acid of 18-hydroxyoleoyl-CoA(4−) (CHEBI:86044)
Synonyms  Source
18-hydroxyoleoyl-coenzyme A(4−)ChEBI
(9Z)-18-hydroxyoctadec-9-enoyl-CoA(4−)SUBMITTER
(9Z)-18-hydroxyoctadec-9-enoyl-coenzyme A(4−)ChEBI
(9Z)-18-hydroxyoctadecenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(9Z)-18-hydroxyoctadecenoyl-CoAUniProt
Manual XrefsDatabases
CPD-17370MetaCyc