GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM28466 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C110H193N5O52 charge 0 mass 2416.26116 reference lipidmapsM:LMSP0505CT07 InChIKey ONLYKENVTWRDJT-XDLRWCPVSA-N InChI InChI=1S/C110H193N5O52/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-70(130)115-59(60(129)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)53-148-105-88(144)86(142)95(69(52-124)158-105)161-109-91(147)98(79(135)64(47-119)153-109)165-103-73(113-57(6)127)83(139)93(67(50-122)156-103)159-107-89(145)96(77(133)62(45-117)151-107)163-102-72(112-56(5)126)82(138)92(66(49-121)155-102)160-108-90(146)97(78(134)63(46-118)152-108)164-104-74(114-58(7)128)84(140)94(68(51-123)157-104)162-110-100(167-106-87(143)85(141)75(131)54(3)149-106)99(80(136)65(48-120)154-110)166-101-71(111-55(4)125)81(137)76(132)61(44-116)150-101/h22-23,40,42,54,59-69,71-110,116-124,129,131-147H,8-21,24-39,41,43-53H2,1-7H3,(H,111,125)(H,112,126)(H,113,127)(H,114,128)(H,115,130)/b23-22-,42-40+/t54?,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-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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](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@H]9OC(CO)[C@H](O)[C@H](O)C9NC(C)=O)C8O[C@H]8OC(C)[C@@H](O)C(O)[C@@H]8O)[C@H](O)C7NC(C)=O)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