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CHEBI:74665 - (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA

ChEBI IDCHEBI:74665
ChEBI Name(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA
Stars
ASCII Name(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (10Z,13Z,16Z)-3-oxodocosatrienoic acid.
Last Modified11 July 2013
SubmitterSteve
DownloadsMolfile
FormulaC43H70N7O18P3S
Net Charge0
Average Mass1098.053
Monoisotopic Mass1097.37109
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=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/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-30,32,36-38,42,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-/t32-,36-,37-,38+,42-/m1/s1
InChIKeyGPKHWNMCLWDFOL-VCMLSESPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is conjugate acid of (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA(4−) (CHEBI:74426)
Incoming Relation(s)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA(4−) (CHEBI:74426) is conjugate base of (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(10Z,13Z,16Z)-tetracosa-10,13,16-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
Synonyms  Source
(10Z,13Z,16Z)-3-ketodocosatrienoyl-coenzyme AChEBI
(10Z,13Z,16Z)-3-oxodocosatrienoyl-coenzyme AChEBI
3-oxo-C22:3(ω-6)-CoAChEBI
(10Z,13Z,16Z)-3-ketodocosatrienoyl-CoAChEBI