X3 ganglioside(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM29893 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C115H201N5O59 charge 0 mass 2596.28816 reference lipidmapsM:LMSP0601FU03 InChIKey WVPIIBZGDWEMCD-POQKNSIXSA-N InChI InChI=1S/C115H201N5O59/c1-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-70(137)120-58(59(134)39-37-35-33-31-29-27-22-20-18-16-14-12-10-2)51-158-107-88(151)85(148)94(67(48-127)168-107)170-111-89(152)100(78(141)62(43-122)162-111)175-104-72(117-55(6)131)82(145)93(66(47-126)165-104)169-110-90(153)101(79(142)63(44-123)161-110)176-105-73(118-56(7)132)98(173-108-86(149)83(146)75(138)52(3)159-108)95(68(49-128)166-105)171-112-91(154)102(80(143)64(45-124)163-112)177-106-74(119-57(8)133)99(174-109-87(150)84(147)76(139)53(4)160-109)96(69(50-129)167-106)172-113-92(155)103(81(144)65(46-125)164-113)179-115(114(156)157)41-60(135)71(116-54(5)130)97(178-115)77(140)61(136)42-121/h37,39,52-53,58-69,71-113,121-129,134-136,138-155H,9-36,38,40-51H2,1-8H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,137)(H,156,157)/b39-37+/t52?,53?,58-,59+,60?,61+,62?,63?,64?,65?,66?,67?,68?,69?,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-,112-,113-,115-/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)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph