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CHEBI:74585 - (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA

ChEBI IDCHEBI:74585
ChEBI Name(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA
Stars
ASCII Name(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoic acid.
Last Modified5 July 2013
SubmitterSteve
DownloadsMolfile
FormulaC47H72N7O18P3S
Net Charge0
Average Mass1148.113
Monoisotopic Mass1147.38674
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C47H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,20-21,33-34,36,40-42,46,58-59H,4,7,10,13,16,19,22-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyZPEHOKYKIUTRAM-YIHFRTTKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA (CHEBI:74585) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA (CHEBI:74585) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA (CHEBI:74585) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA (CHEBI:74585) is conjugate acid of (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA(4−) (CHEBI:74305)
Incoming Relation(s)
(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA(4−) (CHEBI:74305) is conjugate base of (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA (CHEBI:74585)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosa-8,11,14,17,20,23-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(8Z,11Z,14Z,17Z,20Z,23Z)-3-ketohexacosahexaenoyl-coenzyme AChEBI
3-oxo-C26:6(ω-3)-CoAChEBI
(8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-coenzyme AChEBI
(8Z,11Z,14Z,17Z,20Z,23Z)-3-ketohexacosahexaenoyl-CoAChEBI