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CHEBI:76483 - (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4−)

ChEBI IDCHEBI:76483
ChEBI Name(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4−)
Stars
ASCII Name(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4-)
DefinitionA 2,3-trans-enoyl CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA; major species at pH 7.3.
Last Modified11 December 2013
Submitterlaimo
DownloadsMolfile
FormulaC59H94N7O17P3S
Net Charge-4
Average Mass1298.422
Monoisotopic Mass1297.56617
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC/C=C/C(=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/C59H98N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-50(68)87-43-42-61-49(67)40-41-62-57(71)54(70)59(2,3)45-80-86(77,78)83-85(75,76)79-44-48-53(82-84(72,73)74)52(69)58(81-48)66-47-65-51-55(60)63-46-64-56(51)66/h5-6,8-9,11-12,14-15,17-18,38-39,46-48,52-54,58,69-70H,4,7,10,13,16,19-37,40-45H2,1-3H3,(H,61,67)(H,62,71)(H,75,76)(H,77,78)(H2,60,63,64)(H2,72,73,74)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,39-38+/t48-,52-,53-,54+,58-/m1/s1
InChIKeyYGURXRLJAPLDGC-IQFANKKTSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4−) (CHEBI:76483) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4−) (CHEBI:76483) is conjugate base of (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA (CHEBI:76670)
Incoming Relation(s)
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA (CHEBI:76670) is conjugate acid of (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4−) (CHEBI:76483)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,23Z,26Z,29Z,32Z,35Z)-octatriaconta-2,23,26,29,32,35-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2trans,23cis,26cis,29cis,32cis,35cis-octatriacontahexaenoyl-CoA(4−)SUBMITTER
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoAUniProt