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CHEBI:74285 - (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74285
ChEBI Name(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−)
Stars
ASCII Name(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA.
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC49H78N7O17P3S
Net Charge-4
Average Mass1162.184
Monoisotopic Mass1161.44097
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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/C49H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-40(58)77-33-32-51-39(57)30-31-52-47(61)44(60)49(2,3)35-70-76(67,68)73-75(65,66)69-34-38-43(72-74(62,63)64)42(59)48(71-38)56-37-55-41-45(50)53-36-54-46(41)56/h8-9,11-12,14-15,17-18,36-38,42-44,48,59-60H,4-7,10,13,16,19-35H2,1-3H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)/p-4/b9-8-,12-11-,15-14-,18-17-/t38-,42-,43-,44+,48-/m1/s1
InChIKeyXZJYJSSUQOWWAC-OIWJCRNUSA-J
ChEBI Ontology
Outgoing Relation(s)
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−) (CHEBI:74285) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−) (CHEBI:74285) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−) (CHEBI:74285) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−) (CHEBI:74285) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−) (CHEBI:74285) is conjugate base of (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA (CHEBI:74489)
Incoming Relation(s)
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA (CHEBI:74489) is conjugate acid of (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4−) (CHEBI:74285)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(13Z,16Z,19Z,22Z)-octacosa-13,16,19,22-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-coenzyme A(4−)SUBMITTER
all-cis-octacosatetraenoyl-CoA(4−) (ω-6)SUBMITTER
C28:4(ω-6)-CoA(4−)SUBMITTER
all-cis-octacosatetranoyl-coenzyme A(4−) (ω-6)ChEBI
UniProt Name  Source
(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoAUniProt