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18,20-dioxo-20-CoA-leukotriene B4

MNXM33740 is deprecated and here replaced by MNXM734410
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM734410Image of MNXM734410
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 5
formulaC41H57N7O22P3S
charge-5
mass1124.25177
referencebiggM:CE6183
InChIKeyMWWKFDDOIUOYAX-IJXLLCECSA-I
InChIInChI=1S/C41H62N7O22P3S/c1-41(2,23-67-73(64,65)70-72(62,63)66-22-29-35(69-71(59,60)61)34(56)40(68-29)48-25-47-33-37(42)45-24-46-38(33)48)36(57)39(58)44-18-17-30(52)43-19-20-74-32(55)21-28(51)14-9-5-8-13-26(49)11-6-3-4-7-12-27(50)15-10-16-31(53)54/h3-8,11-12,24-27,29,34-36,40,49-50,56-57H,9-10,13-23H2,1-2H3,(H,43,52)(H,44,58)(H,53,54)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-5/b4-3+,8-5?,11-6?,12-7-/t26-,27+,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=CC[C@H](O)C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE6183
biggM:CE6183 		18,20-dioxo-20-CoA-leukotriene B4
biggM:M_CE6183 secondary/obsolete/fantasy identifier