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CHEBI:74293 - (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74293
ChEBI Name(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−)
Stars
ASCII Name(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA.
Last Modified13 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC57H94N7O17P3S
Net Charge-4
Average Mass1274.400
Monoisotopic Mass1273.56617
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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/C57H98N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-48(66)85-41-40-59-47(65)38-39-60-55(69)52(68)57(2,3)43-78-84(75,76)81-83(73,74)77-42-46-51(80-82(70,71)72)50(67)56(79-46)64-45-63-49-53(58)61-44-62-54(49)64/h8-9,11-12,14-15,17-18,44-46,50-52,56,67-68H,4-7,10,13,16,19-43H2,1-3H3,(H,59,65)(H,60,69)(H,73,74)(H,75,76)(H2,58,61,62)(H2,70,71,72)/p-4/b9-8-,12-11-,15-14-,18-17-/t46-,50-,51-,52+,56-/m1/s1
InChIKeyFLEXVBLUUFFABO-GEMDTXPYSA-J
ChEBI Ontology
Outgoing Relation(s)
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−) (CHEBI:74293) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−) (CHEBI:74293) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−) (CHEBI:74293) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−) (CHEBI:74293) is conjugate base of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA (CHEBI:74525)
Incoming Relation(s)
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA (CHEBI:74525) is conjugate acid of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−) (CHEBI:74293)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(21Z,24Z,27Z,30Z)-3-oxohexatriaconta-21,24,27,30-tetraenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
C36:4(ω-6)-CoA(4−)SUBMITTER
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-coenzyme A(4−)SUBMITTER
all-cis-(ω-6)-hexatriacontatetraenoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoAUniProt