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CHEBI:74292 - (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74292
ChEBI Name(21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4−)
Stars
ASCII Name(21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA.
Last Modified4 April 2019
Submitterlaimo
DownloadsMolfile
FormulaC57H92N7O18P3S
Net Charge-4
Average Mass1288.383
Monoisotopic Mass1287.54543
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=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/C57H96N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-45(65)40-48(67)86-39-38-59-47(66)36-37-60-55(70)52(69)57(2,3)42-79-85(76,77)82-84(74,75)78-41-46-51(81-83(71,72)73)50(68)56(80-46)64-44-63-49-53(58)61-43-62-54(49)64/h8-9,11-12,14-15,17-18,43-44,46,50-52,56,68-69H,4-7,10,13,16,19-42H2,1-3H3,(H,59,66)(H,60,70)(H,74,75)(H,76,77)(H2,58,61,62)(H2,71,72,73)/p-4/b9-8-,12-11-,15-14-,18-17-/t46-,50-,51-,52+,56-/m1/s1
InChIKeyJMBIRQSFRFXQDX-GEMDTXPYSA-J
ChEBI Ontology
Outgoing Relation(s)
(21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4−) (CHEBI:74292) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4−) (CHEBI:74292) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4−) (CHEBI:74292) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4−) (CHEBI:74292) is conjugate base of (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA (CHEBI:74522)
Incoming Relation(s)
(21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA (CHEBI:74522) is conjugate acid of (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4−) (CHEBI:74292)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(21Z,24Z,27Z,30Z)-3-oxohexatriaconta-21,24,27,30-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
3-oxo-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−)SUBMITTER
3-keto-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−)SUBMITTER
3-oxo-all-cis-(ω-6)-hexatriacontatetraenoyl-CoA(4−)SUBMITTER
3-oxo-C36:4(ω-6)-CoA(4−)ChEBI
(21Z,24Z,27Z,30Z)-3-ketohexatriacontatetraenoyl-CoA(4−)ChEBI
(21Z,24Z,27Z,30Z)-3-ketohexatriacontatetraenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-oxo-(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoAUniProt