SSEA-4 positional isomer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM28220 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H151N3O36 charge 0 mass 1790.00773 reference lipidmapsM:LMSP0601AI07 InChIKey SOLIYOKBWFNFPO-RXCFDHLVSA-N InChI InChI=1S/C85H151N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(99)88-51(52(96)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-113-80-71(108)68(105)74(57(45-92)117-80)120-82-72(109)69(106)75(58(46-93)118-82)121-83-73(110)78(66(103)56(44-91)116-83)123-79-62(87-50(4)95)76(65(102)55(43-90)115-79)122-81-70(107)67(104)64(101)59(119-81)48-114-85(84(111)112)41-53(97)61(86-49(3)94)77(124-85)63(100)54(98)42-89/h19-20,37,39,51-59,61-83,89-93,96-98,100-110H,5-18,21-36,38,40-48H2,1-4H3,(H,86,94)(H,87,95)(H,88,99)(H,111,112)/b20-19-,39-37+/t51-,52+,53?,54+,55?,56?,57?,58?,59?,61+,62?,63+,64-,65-,66-,67-,68+,69+,70?,71?,72?,73?,74+,75-,76+,77?,78-,79-,80+,81-,82-,83-,85+/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph