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CHEBI:85506 - (11Z)-18-hydroxyoctadecenoyl-CoA

ChEBI IDCHEBI:85506
ChEBI Name(11Z)-18-hydroxyoctadecenoyl-CoA
Stars
ASCII Name(11Z)-18-hydroxyoctadecenoyl-CoA
DefinitionAn ω-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-18-hydroxyoctadecenoic 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)CCCCCCCCC/C=C\CCCCCCO
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/h5,7,26-28,32-34,38,47,50-51H,3-4,6,8-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b7-5-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyNOIUTWPLUSPPCP-CDTKMEQTSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(11Z)-18-hydroxyoctadecenoyl-CoA (CHEBI:85506) is a long-chain fatty acyl-CoA (CHEBI:33184)
(11Z)-18-hydroxyoctadecenoyl-CoA (CHEBI:85506) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(11Z)-18-hydroxyoctadecenoyl-CoA (CHEBI:85506) is a ω-hydroxy fatty acyl-CoA (CHEBI:85212)
(11Z)-18-hydroxyoctadecenoyl-CoA (CHEBI:85506) is conjugate acid of (11Z)-18-hydroxyoctadecenoyl-CoA(4−) (CHEBI:84902)
Incoming Relation(s)
(11Z)-18-hydroxyoctadecenoyl-CoA(4−) (CHEBI:84902) is conjugate base of (11Z)-18-hydroxyoctadecenoyl-CoA (CHEBI:85506)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(11Z)-18-hydroxyoctadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(11Z)-18-hydroxyoctadecenoyl-coenzyme AChEBI
(11Z)-18-hydroxyoctadec-11-enoyl-CoAChEBI
(11Z)-18-hydroxyoctadec-11-enoyl-coenzyme AChEBI