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CHEBI:76548 - (11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA

ChEBI IDCHEBI:76548
ChEBI Name(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA
Stars
ASCII Name(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-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,14Z,17Z,20Z)-3-oxohexacosatetraenoic acid.
Last Modified2 December 2013
SubmitterSteve
DownloadsMolfile
FormulaC47H76N7O18P3S
Net Charge0
Average Mass1152.145
Monoisotopic Mass1151.41804
SMILESCCCCC/C=C\C/C=C\C/C=C\C/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/C47H76N7O18P3S/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/h8-9,11-12,14-15,17-18,33-34,36,40-42,46,58-59H,4-7,10,13,16,19-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/b9-8-,12-11-,15-14-,18-17-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyIRVMODBKXAVSDS-UGUUHRENSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA (CHEBI:76548) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA (CHEBI:76548) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA (CHEBI:76548) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA (CHEBI:76548) is conjugate acid of (11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA(4−) (CHEBI:76419)
Incoming Relation(s)
(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA(4−) (CHEBI:76419) is conjugate base of (11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA (CHEBI:76548)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(11Z,14Z,17Z,20Z)-3-oxohexacosa-11,14,17,20-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-oxo-(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoAChEBI
(11Z,14Z,17Z,20Z)-3-ketohexacosatetraenoyl-CoAChEBI
3-keto-(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoAChEBI
(11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-coenzyme AChEBI
(11Z,14Z,17Z,20Z)-3-ketohexacosatetraenoyl-coenzyme AChEBI