GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM23234 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C106H189N5O47 charge 0 mass 2284.25529 reference lipidmapsM:LMSP0504BF06 InChIKey USTWEBQJRDJLNY-MXNACXGRSA-N InChI InChI=1S/C106H189N5O47/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-70(124)111-60(61(123)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)53-141-102-88(138)86(136)91(68(52-118)150-102)152-104-89(139)94(80(130)66(50-116)148-104)155-100-73(109-58(6)121)92(78(128)64(48-114)146-100)153-105-90(140)95(82(132)69(151-105)54-142-98-71(107-56(4)119)83(133)76(126)62(46-112)144-98)156-101-74(110-59(7)122)93(79(129)65(49-115)147-101)154-106-97(158-103-87(137)85(135)75(125)55(3)143-103)96(81(131)67(51-117)149-106)157-99-72(108-57(5)120)84(134)77(127)63(47-113)145-99/h42,44,55,60-69,71-106,112-118,123,125-140H,8-41,43,45-54H2,1-7H3,(H,107,119)(H,108,120)(H,109,121)(H,110,122)(H,111,124)/b44-42+/t55?,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-/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](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph