X3 ganglioside(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM26093 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C117H205N5O59 charge 0 mass 2624.31946 reference lipidmapsM:LMSP0601FU04 InChIKey OUZABVOFYBDVSP-AOSNGJNZSA-N InChI InChI=1S/C117H205N5O59/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-72(139)122-60(61(136)41-39-37-35-33-31-29-22-20-18-16-14-12-10-2)53-160-109-90(153)87(150)96(69(50-129)170-109)172-113-91(154)102(80(143)64(45-124)164-113)177-106-74(119-57(6)133)84(147)95(68(49-128)167-106)171-112-92(155)103(81(144)65(46-125)163-112)178-107-75(120-58(7)134)100(175-110-88(151)85(148)77(140)54(3)161-110)97(70(51-130)168-107)173-114-93(156)104(82(145)66(47-126)165-114)179-108-76(121-59(8)135)101(176-111-89(152)86(149)78(141)55(4)162-111)98(71(52-131)169-108)174-115-94(157)105(83(146)67(48-127)166-115)181-117(116(158)159)43-62(137)73(118-56(5)132)99(180-117)79(142)63(138)44-123/h39,41,54-55,60-71,73-115,123-131,136-138,140-157H,9-38,40,42-53H2,1-8H3,(H,118,132)(H,119,133)(H,120,134)(H,121,135)(H,122,139)(H,158,159)/b41-39+/t54?,55?,60-,61+,62?,63+,64?,65?,66?,67?,68?,69?,70?,71?,73+,74?,75?,76?,77+,78+,79+,80-,81-,82-,83-,84+,85?,86?,87+,88-,89-,90?,91?,92?,93?,94?,95+,96+,97+,98+,99?,100+,101+,102-,103-,104-,105-,106-,107-,108-,109+,110+,111+,112-,113-,114-,115-,117-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@@H](O[C@@H]8OC(CO)[C@H](O)[C@H](O[C@]9(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O9)C8O)[C@H](O[C@H]8OC(C)[C@@H](O)C(O)[C@@H]8O)C7NC(C)=O)C6O)[C@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph