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CHEBI:74139 - (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA

ChEBI IDCHEBI:74139
ChEBI Name(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA
Stars
ASCII Name(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA
DefinitionA 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z,15Z)-3-oxoicosatrienoic acid
Last Modified17 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC41H66N7O18P3S
Net Charge0
Average Mass1069.999
Monoisotopic Mass1069.33979
SMILESCCCC/C=C\C/C=C\C/C=C\CCCCCC(=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/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h7-8,10-11,13-14,27-28,30,34-36,40,52-53H,4-6,9,12,15-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b8-7-,11-10-,14-13-/t30-,34-,35-,36+,40-/m1/s1
InChIKeyJNPQHWUFHAXGTJ-OIOULCSKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA (CHEBI:74139) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA (CHEBI:74139) is a long-chain fatty acyl-CoA (CHEBI:33184)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA (CHEBI:74139) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA (CHEBI:74139) is conjugate acid of (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−) (CHEBI:74015)
Incoming Relation(s)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−) (CHEBI:74015) is conjugate base of (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA (CHEBI:74139)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z,15Z)-3-oxoicosa-9,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(9Z,12Z,15Z)-3-oxoicosatrienoyl-coenzyme AChEBI
(9Z,12Z,15Z)-3-ketoeicosatrienoyl-coenzyme AChEBI
(9Z,12Z,15Z)-3-oxoeicosatrienoyl-CoAChEBI
(9Z,12Z,15Z)-3-ketoicosatrienoyl-CoAChEBI
(9Z,12Z,15Z)-3-ketoicosatrienoyl-coenzyme AChEBI
(9Z,12Z,15Z)-3-ketoeicosatrienoyl-CoAChEBI