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CoA-18-COOH-16E-dinor-LTE5

PropertiesImageOccurences in reactions
MNX_IDMNXM164681Image of MNXM164681
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
formulaC42H58N8O22P3S2
charge-5
mass1183.23474
referencebiggM:CE6204
InChIKeyGUAGWAIMNAPYFO-XEKBFFPISA-I
InChIInChI=1S/C42H63N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6-11,14,16,24-29,34-36,40,51,56-57H,5,12-13,15,17-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-5/b4-3-,8-6+,9-7-,14-10+,16-11?/t26-,27-,28?,29?,34?,35?,36?,40?/m0/s1
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)C=C/C=C\C/C=C\C=C\C=C\C(SC[C@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-]
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Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE6204
biggM:CE6204 		CoA-18-COOH-16E-dinor-LTE5
biggM:M_CE6204 secondary/obsolete/fantasy identifier