GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(NeuAcalpha2-3(GalNAcbeta1-4)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM28665 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C109H192N6O51 charge 0 mass 2401.2615 reference lipidmapsM:LMSP0601GO05 InChIKey MSPUMFILRKGCHC-PLIPHFHESA-N InChI InChI=1S/C109H192N6O51/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-72(132)115-60(61(129)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)53-149-104-88(143)87(142)93(69(51-122)156-104)160-106-90(145)98(164-105-89(144)97(82(137)67(49-120)154-105)163-103-77(114-59(7)128)95(81(136)66(48-119)153-103)162-102-75(112-57(5)126)85(140)80(135)65(47-118)152-102)83(138)71(158-106)54-150-100-76(113-58(6)127)86(141)92(68(50-121)155-100)159-107-91(146)99(94(70(52-123)157-107)161-101-74(111-56(4)125)84(139)79(134)64(46-117)151-101)166-109(108(147)148)44-62(130)73(110-55(3)124)96(165-109)78(133)63(131)45-116/h40,42,60-71,73-107,116-123,129-131,133-146H,8-39,41,43-54H2,1-7H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,128)(H,115,132)(H,147,148)/b42-40+/t60-,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-,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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph