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CHEBI:74609 - (10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA

ChEBI IDCHEBI:74609
ChEBI Name(10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA
Stars
ASCII Name(10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-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,19Z)-3-oxodocosatetraenoic acid.
Last Modified9 July 2013
SubmitterSteve
DownloadsMolfile
FormulaC43H68N7O18P3S
Net Charge0
Average Mass1096.037
Monoisotopic Mass1095.35544
SMILESCC/C=C\C/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/C43H68N7O18P3S/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/h5-6,8-9,11-12,14-15,29-30,32,36-38,42,54-55H,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)/b6-5-,9-8-,12-11-,15-14-/t32-,36-,37-,38+,42-/m1/s1
InChIKeyMUBUSEARPWRSQN-BUSXXEPMSA-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,19Z)-3-oxodocosatetraenoyl-CoA (CHEBI:74609) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA (CHEBI:74609) is a long-chain fatty acyl-CoA (CHEBI:33184)
(10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA (CHEBI:74609) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA (CHEBI:74609) is conjugate acid of (10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:74334)
Incoming Relation(s)
(10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:74334) is conjugate base of (10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA (CHEBI:74609)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(10Z,13Z,16Z,19Z)-3-ketodocosatetraenoyl-coenzyme AChEBI
(10Z,13Z,16Z,19Z)-3-ketodocosatetraenoyl-CoAChEBI
3-oxo-C22:4(ω-3)-CoAChEBI
(10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-coenzyme AChEBI
3-oxo-all-cis-(ω-3)-docosatetraenoyl-CoAChEBI