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CHEBI:76896 - (11Z)-3-oxooctadecenoyl-CoA

ChEBI IDCHEBI:76896
ChEBI Name(11Z)-3-oxooctadecenoyl-CoA
Stars
ASCII Name(11Z)-3-oxooctadecenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-3-oxooctadecenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC39H66N7O18P3S
Net Charge0
Average Mass1045.977
Monoisotopic Mass1045.33979
SMILESCCCCCC/C=C\CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIInChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-26,28,32-34,38,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b10-9-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyOUROWZUTGFHRJE-SAIINBSPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(11Z)-3-oxooctadecenoyl-CoA (CHEBI:76896) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(11Z)-3-oxooctadecenoyl-CoA (CHEBI:76896) is a long-chain fatty acyl-CoA (CHEBI:33184)
(11Z)-3-oxooctadecenoyl-CoA (CHEBI:76896) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(11Z)-3-oxooctadecenoyl-CoA (CHEBI:76896) is conjugate acid of (11Z)-3-oxooctadecenoyl-CoA(4−) (CHEBI:76555)
Incoming Relation(s)
(11Z)-3-oxooctadecenoyl-CoA(4−) (CHEBI:76555) is conjugate base of (11Z)-3-oxooctadecenoyl-CoA (CHEBI:76896)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(11Z)-3-oxooctadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-oxo-(11Z)-octadecenoyl-coenzyme AChEBI
3-keto-(11Z)-octadecenoyl-CoAChEBI
3-oxo-(11Z)-octadecenoyl-CoAChEBI
3-keto-(11Z)-octadecenoyl-coenzyme AChEBI
(11Z)-3-oxooctadecenoyl-coenzyme AChEBI
(11Z)-3-ketooctadecenoyl-coenzyme AChEBI