GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM24024 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C110H193N5O52 charge 0 mass 2416.26116 reference lipidmapsM:LMSP0504BG07 InChIKey MPJWZYONTGRQTL-OTZCQJEPSA-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(129)115-59(60(128)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)52-148-105-90(145)87(142)93(68(51-123)158-105)160-108-91(146)97(81(136)66(49-121)156-108)164-103-73(113-57(6)126)95(79(134)64(47-119)153-103)162-109-92(147)98(83(138)69(159-109)53-149-101-72(112-56(5)125)94(78(133)63(46-118)151-101)161-107-89(144)86(141)77(132)62(45-117)155-107)165-104-74(114-58(7)127)96(80(135)65(48-120)154-104)163-110-100(167-106-88(143)85(140)75(130)54(3)150-106)99(82(137)67(50-122)157-110)166-102-71(111-55(4)124)84(139)76(131)61(44-116)152-102/h22-23,40,42,54,59-69,71-110,116-123,128,130-147H,8-21,24-39,41,43-53H2,1-7H3,(H,111,124)(H,112,125)(H,113,126)(H,114,127)(H,115,129)/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](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph