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16,18-oxo-18-CoA-dinor-LTE4

MNXM33508 is deprecated and here replaced by MNXM734342
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM734342Image of MNXM734342
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
formulaC42H60N8O23P3S2
charge-5
mass1201.2453
referencebiggM:CE6198
InChIKeyIPTNGKBINTWILB-MOGVCQQGSA-I
InChIInChI=1S/C42H65N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-24,26-29,34-36,40,52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-5/b4-3-,7-5+,13-9+/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(=O)CCC/C=C\C=C\C=C\[C@@H](SC[C@@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE6198
biggM:CE6198 		16,18-oxo-18-CoA-dinor-LTE4
biggM:M_CE6198 secondary/obsolete/fantasy identifier