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CHEBI:74608 - (13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA

ChEBI IDCHEBI:74608
ChEBI Name(13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA
Stars
ASCII Name(13Z,16Z,19Z)-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 (13Z,16Z,19Z)-3-oxodocosatrienoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC43H70N7O18P3S
Net Charge0
Average Mass1098.053
Monoisotopic Mass1097.37109
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/h5-6,8-9,11-12,29-30,32,36-38,42,54-55H,4,7,10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b6-5-,9-8-,12-11-/t32-,36-,37-,38+,42-/m1/s1
InChIKeyUERYNYFAFQPKQI-TYDLXKLOSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA (CHEBI:74608) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA (CHEBI:74608) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA (CHEBI:74608) is a long-chain fatty acyl-CoA (CHEBI:33184)
(13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA (CHEBI:74608) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA (CHEBI:74608) is conjugate acid of (13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA(4−) (CHEBI:74329)
Incoming Relation(s)
(13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA(4−) (CHEBI:74329) is conjugate base of (13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA (CHEBI:74608)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(13Z,16Z,19Z)-docosa-13,16,19-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-oxo-all-cis-(ω-3)-docosatrienoyl-CoAChEBI
(13Z,16Z,19Z)-3-oxodocosatrienoyl-coenzyme AChEBI
3-oxo-C22:3(ω-3)-CoAChEBI
(13Z,16Z,19Z)-3-ketodocosatrienoyl-CoAChEBI
(13Z,16Z,19Z)-3-ketodocosatrienoyl-coenzyme AChEBI