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CHEBI:87796 - (20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA(4−)

ChEBI IDCHEBI:87796
ChEBI Name(20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA(4−)
Stars
ASCII Name(20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of (20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA; major species at pH 7.3.
Last Modified21 September 2015
Submitterabridge
DownloadsMolfile
FormulaC59H96N7O17P3S
Net Charge-4
Average Mass1300.438
Monoisotopic Mass1299.58182
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=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/C59H100N7O17P3S/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/h8-9,11-12,14-15,17-18,20-21,46-48,52-54,58,69-70H,4-7,10,13,16,19,22-45H2,1-3H3,(H,61,67)(H,62,71)(H,75,76)(H,77,78)(H2,60,63,64)(H2,72,73,74)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t48-,52-,53-,54+,58-/m1/s1
InChIKeyXSFNCKAMCQYUGF-FYMVUFNMSA-J
ChEBI Ontology
Outgoing Relation(s)
(20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA(4−) (CHEBI:87796) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA(4−) (CHEBI:87796) is conjugate base of (20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA (CHEBI:87982)
Incoming Relation(s)
(20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA (CHEBI:87982) is conjugate acid of (20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA(4−) (CHEBI:87796)
Synonyms  Source
38:5n-6-CoASUBMITTER
38:5(n-6)-CoASUBMITTER
C38:5(ω-6)-CoASUBMITTER
UniProt Name  Source
(20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoAUniProt