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CHEBI:87795 - (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA(4−)

ChEBI IDCHEBI:87795
ChEBI Name(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA(4−)
Stars
ASCII Name(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA; major species at pH 7.3.
Last Modified21 September 2015
Submitterabridge
DownloadsMolfile
FormulaC57H92N7O17P3S
Net Charge-4
Average Mass1272.384
Monoisotopic Mass1271.55052
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=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/C57H96N7O17P3S/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/h8-9,11-12,14-15,17-18,20-21,44-46,50-52,56,67-68H,4-7,10,13,16,19,22-43H2,1-3H3,(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-,21-20-/t46-,50-,51-,52+,56-/m1/s1
InChIKeyXSHDZWJCRHKTFD-FHPHHEERSA-J
ChEBI Ontology
Outgoing Relation(s)
(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA(4−) (CHEBI:87795) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA(4−) (CHEBI:87795) is conjugate base of (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA (CHEBI:87981)
Incoming Relation(s)
(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA (CHEBI:87981) is conjugate acid of (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA(4−) (CHEBI:87795)
Synonyms  Source
36:5n-6-CoASUBMITTER
36:5(n-6)-CoASUBMITTER
C36:5(ω-6)-CoASUBMITTER
UniProt Name  Source
(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoAUniProt