GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM26435 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C106H187N5O52 charge 0 mass 2362.21421 reference lipidmapsM:LMSP0505CT03 InChIKey PETQPXSNPVEOLA-GRSFXWBRSA-N InChI InChI=1S/C106H187N5O52/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-66(126)111-55(56(125)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)49-144-101-84(140)82(138)91(65(48-120)154-101)157-105-87(143)94(75(131)60(43-115)149-105)161-99-69(109-53(6)123)79(135)89(63(46-118)152-99)155-103-85(141)92(73(129)58(41-113)147-103)159-98-68(108-52(5)122)78(134)88(62(45-117)151-98)156-104-86(142)93(74(130)59(42-114)148-104)160-100-70(110-54(7)124)80(136)90(64(47-119)153-100)158-106-96(163-102-83(139)81(137)71(127)50(3)145-102)95(76(132)61(44-116)150-106)162-97-67(107-51(4)121)77(133)72(128)57(40-112)146-97/h36,38,50,55-65,67-106,112-120,125,127-143H,8-35,37,39-49H2,1-7H3,(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,126)/b38-36+/t50?,55-,56+,57?,58?,59?,60?,61?,62?,63?,64?,65?,67?,68?,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-/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@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)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph