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CoA-omega-COOH-dinor-LTE4

MNXM47396 is deprecated and here replaced by MNXM736786
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM736786Image of MNXM736786
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
formulaC42H60N8O22P3S2
charge-5
mass1185.25039
referencebiggM:CE6188
InChIKeyQFIFJHIRXMCJMO-GVVKVPPWSA-I
InChIInChI=1S/C42H65N8O22P3S2/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/h3-4,6-10,14,24-29,34-36,40,51,56-57H,5,11-13,15-23,43H2,1-2H3,(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+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1
SMILESCC(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-])C(O)C(=O)NCCC(=O)NCCSC(=O)CC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE6188
biggM:CE6188 		CoA-omega-COOH-dinor-LTE4
biggM:M_CE6188 secondary/obsolete/fantasy identifier