NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM23660 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C106H185N5O49 charge 0 mass 2312.21382 reference lipidmapsM:LMSP0601GB08 InChIKey PRXXIAHSKKXMKW-HVSWRKRTSA-N InChI InChI=1S/C106H185N5O49/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(128)111-60(61(124)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-145-99-85(137)84(136)91(71(54-119)151-99)154-101-87(139)95(79(131)66(49-114)147-101)156-97-75(109-58(5)122)82(134)89(69(52-117)149-97)152-100-86(138)94(78(130)65(48-113)146-100)155-98-76(110-59(6)123)83(135)90(70(53-118)150-98)153-102-88(140)96(80(132)67(50-115)148-102)160-106(104(143)144)46-63(126)74(108-57(4)121)93(159-106)81(133)68(51-116)157-105(103(141)142)45-62(125)73(107-56(3)120)92(158-105)77(129)64(127)47-112/h21-22,41,43,60-71,73-102,112-119,124-127,129-140H,7-20,23-40,42,44-55H2,1-6H3,(H,107,120)(H,108,121)(H,109,122)(H,110,123)(H,111,128)(H,141,142)(H,143,144)/b22-21-,43-41+/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-,105+,106-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]8(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O8)O7)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