NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM28991 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C117H205N5O60 charge 0 mass 2640.31438 reference lipidmapsM:LMSP0601FZ04 InChIKey SYFGQIWAXKXLSY-UIJCWMDHSA-N InChI InChI=1S/C117H205N5O60/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-72(139)122-59(60(136)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)52-161-109-92(155)89(152)99(70(51-131)171-109)175-112-93(156)101(80(143)64(45-125)165-112)177-107-75(120-57(6)134)85(148)96(68(49-129)169-107)173-113-94(157)102(178-108-76(121-58(7)135)86(149)97(69(50-130)170-108)174-114-95(158)103(81(144)65(46-126)166-114)182-117(116(159)160)42-61(137)73(118-55(4)132)100(181-117)78(141)62(138)43-123)83(146)71(172-113)53-162-106-74(119-56(5)133)84(147)98(67(48-128)168-106)176-115-105(180-110-90(153)87(150)77(140)54(3)163-110)104(82(145)66(47-127)167-115)179-111-91(154)88(151)79(142)63(44-124)164-111/h38,40,54,59-71,73-115,123-131,136-138,140-158H,8-37,39,41-53H2,1-7H3,(H,118,132)(H,119,133)(H,120,134)(H,121,135)(H,122,139)(H,159,160)/b40-38+/t54?,59-,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]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@H](O)C7O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)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