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CHEBI:88090 - (7Z)-3-oxohexadecenoyl-CoA

ChEBI IDCHEBI:88090
ChEBI Name(7Z)-3-oxohexadecenoyl-CoA
Stars
ASCII Name(7Z)-3-oxohexadecenoyl-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 (7Z)-3-oxohexadecenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC37H62N7O18P3S
Net Charge0
Average Mass1017.923
Monoisotopic Mass1017.30849
SMILESCCCCCCCC/C=C\CCCC(=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/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h11-12,23-24,26,30-32,36,48-49H,4-10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b12-11-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyBUCIFQOXNYHEOO-YDGGZUKGSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(7Z)-3-oxohexadecenoyl-CoA (CHEBI:88090) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(7Z)-3-oxohexadecenoyl-CoA (CHEBI:88090) is a long-chain fatty acyl-CoA (CHEBI:33184)
(7Z)-3-oxohexadecenoyl-CoA (CHEBI:88090) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(7Z)-3-oxohexadecenoyl-CoA (CHEBI:88090) is conjugate acid of (7Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:87719)
Incoming Relation(s)
(7Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:87719) is conjugate base of (7Z)-3-oxohexadecenoyl-CoA (CHEBI:88090)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(7Z)-3-oxohexadec-7-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(7Z)-3-oxohexadecenoyl-coenzyme AChEBI
(7Z)-3-ketohexadecenoyl-CoAChEBI
(7Z)-3-ketohexadecenoyl-coenzyme AChEBI