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CHEBI:74015 - (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−)

ChEBI IDCHEBI:74015
ChEBI Name(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−)
Stars
ASCII Name(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA.
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC41H62N7O18P3S
Net Charge-4
Average Mass1065.967
Monoisotopic Mass1065.31068
SMILESCCCC/C=C\C/C=C\C/C=C\CCCCCC(=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/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h7-8,10-11,13-14,27-28,30,34-36,40,52-53H,4-6,9,12,15-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b8-7-,11-10-,14-13-/t30-,34-,35-,36+,40-/m1/s1
InChIKeyJNPQHWUFHAXGTJ-OIOULCSKSA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−) (CHEBI:74015) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−) (CHEBI:74015) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−) (CHEBI:74015) is conjugate base of (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA (CHEBI:74139)
Incoming Relation(s)
(9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA (CHEBI:74139) is conjugate acid of (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4−) (CHEBI:74015)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z,15Z)-3-oxoicosa-9,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
3-oxo-(9Z,12Z,15Z)-icosatrienoyl-coenzyme A(4−)SUBMITTER
3-keto-(9Z,12Z,15Z)-icosatrienoyl-CoA(4−)SUBMITTER
3-oxo-(9Z,12Z,15Z)-eicosatrienoyl-CoA(4−)SUBMITTER
3-keto-(9Z,12Z,15Z)-eicosatrienoyl-CoA(4−)SUBMITTER
3-oxoicosatrienoyl-CoA(4−)SUBMITTER
3-oxoeicosatrienoyl-CoA(4−)SUBMITTER