NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM25029 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C109H191N5O55 charge 0 mass 2450.23026 reference lipidmapsM:LMSP0601ES03 InChIKey MEYHCKMEBXUGIL-SZHBBQNFSA-N InChI InChI=1S/C109H191N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-68(131)114-56(57(128)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)50-150-102-84(143)82(141)91(66(48-122)159-102)162-105-85(144)95(75(134)60(42-116)153-105)165-99-70(111-53(5)125)79(138)89(64(46-120)156-99)160-104-86(145)97(77(136)61(43-117)152-104)167-101-72(113-55(7)127)94(164-103-83(142)81(140)73(132)51(3)151-103)92(67(49-123)158-101)163-106-87(146)96(76(135)62(44-118)154-106)166-100-71(112-54(6)126)80(139)90(65(47-121)157-100)161-107-88(147)98(78(137)63(45-119)155-107)169-109(108(148)149)40-58(129)69(110-52(4)124)93(168-109)74(133)59(130)41-115/h36,38,51,56-67,69-107,115-123,128-130,132-147H,8-35,37,39-50H2,1-7H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,131)(H,148,149)/b38-36+/t51?,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-,109-/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)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