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CHEBI:88080 - (5Z)-3-oxotetradecenoyl-CoA

ChEBI IDCHEBI:88080
ChEBI Name(5Z)-3-oxotetradecenoyl-CoA
Stars
ASCII Name(5Z)-3-oxotetradecenoyl-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 (5Z)-3-oxotetradecenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC35H58N7O18P3S
Net Charge0
Average Mass989.869
Monoisotopic Mass989.27719
SMILESCCCCCCCC/C=C\CC(=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/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h11-12,21-22,24,28-30,34,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b12-11-/t24-,28-,29-,30+,34-/m1/s1
InChIKeyKADPWMJVUVWQNK-STFCKWFXSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(5Z)-3-oxotetradecenoyl-CoA (CHEBI:88080) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(5Z)-3-oxotetradecenoyl-CoA (CHEBI:88080) is a long-chain fatty acyl-CoA (CHEBI:33184)
(5Z)-3-oxotetradecenoyl-CoA (CHEBI:88080) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(5Z)-3-oxotetradecenoyl-CoA (CHEBI:88080) is conjugate acid of (5Z)-3-oxotetradecenoyl-CoA(4−) (CHEBI:87707)
Incoming Relation(s)
(5Z)-3-oxotetradecenoyl-CoA(4−) (CHEBI:87707) is conjugate base of (5Z)-3-oxotetradecenoyl-CoA (CHEBI:88080)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(5Z)-3-oxotetradec-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(5Z)-3-oxotetradecenoyl-coenzyme AChEBI
(5Z)-3-ketotetradecenoyl-coenzyme AChEBI
(5Z)-3-ketotetradecenoyl-CoAChEBI