X3 ganglioside(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM29262 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C113H197N5O59 charge 0 mass 2568.25686 reference lipidmapsM:LMSP0601FU02 InChIKey WCXVWYMULDAOBB-ZEDPFIPASA-N InChI InChI=1S/C113H197N5O59/c1-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-68(135)118-56(57(132)37-35-33-31-29-27-25-22-20-18-16-14-12-10-2)49-156-105-86(149)83(146)92(65(46-125)166-105)168-109-87(150)98(76(139)60(41-120)160-109)173-102-70(115-53(6)129)80(143)91(64(45-124)163-102)167-108-88(151)99(77(140)61(42-121)159-108)174-103-71(116-54(7)130)96(171-106-84(147)81(144)73(136)50(3)157-106)93(66(47-126)164-103)169-110-89(152)100(78(141)62(43-122)161-110)175-104-72(117-55(8)131)97(172-107-85(148)82(145)74(137)51(4)158-107)94(67(48-127)165-104)170-111-90(153)101(79(142)63(44-123)162-111)177-113(112(154)155)39-58(133)69(114-52(5)128)95(176-113)75(138)59(134)40-119/h35,37,50-51,56-67,69-111,119-127,132-134,136-153H,9-34,36,38-49H2,1-8H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,135)(H,154,155)/b37-35+/t50?,51?,56-,57+,58?,59+,60?,61?,62?,63?,64?,65?,66?,67?,69+,70?,71?,72?,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-,113-/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)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph