NeuAcalpha2-3Galbeta1-4GlcNAcalpha1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM1107065 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C115H201N5O55 charge 0 mass 2532.30851 reference lipidmapsM:LMSP0601FP08 InChIKey WBMNLLHDIZISOD-YMZHQRJBSA-N InChI InChI=1S/C115H201N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-74(136)120-62(63(133)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)55-156-108-92(150)90(148)99(72(54-128)165-108)169-110-93(151)101(82(140)67(49-123)159-110)171-106-77(118-60(6)131)86(144)96(70(52-126)163-106)167-111-94(152)102(84(142)73(166-111)56-157-105-76(117-59(5)130)85(143)98(69(51-125)162-105)170-113-104(89(147)81(139)66(48-122)161-113)173-109-91(149)88(146)79(137)57(3)158-109)172-107-78(119-61(7)132)87(145)97(71(53-127)164-107)168-112-95(153)103(83(141)68(50-124)160-112)175-115(114(154)155)46-64(134)75(116-58(4)129)100(174-115)80(138)65(135)47-121/h22-23,42,44,57,62-73,75-113,121-128,133-135,137-153H,8-21,24-41,43,45-56H2,1-7H3,(H,116,129)(H,117,130)(H,118,131)(H,119,132)(H,120,136)(H,154,155)/b23-22-,44-42+/t57?,62-,63+,64?,65+,66?,67?,68?,69?,70?,71?,72?,73?,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 CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[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)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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph