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

Properties Image Occurences in reactions MNX_ID MNXM24341 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C107H189N5O51 charge 0 mass 2360.23495 reference lipidmapsM:LMSP0601FK05 InChIKey PSSIFNAZNOARPC-IFVKGYPISA-N InChI InChI=1S/C107H189N5O51/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(129)112-58(59(126)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-146-101-84(139)83(138)92(69(52-121)154-101)158-104-87(142)96(78(133)64(47-116)149-104)161-99-73(110-56(5)124)81(136)90(67(50-119)152-99)156-102-85(140)94(76(131)62(45-114)147-102)159-98-72(109-55(4)123)80(135)89(66(49-118)151-98)155-103-86(141)95(77(132)63(46-115)148-103)160-100-74(111-57(6)125)82(137)91(68(51-120)153-100)157-105-88(143)97(79(134)65(48-117)150-105)163-107(106(144)145)43-60(127)71(108-54(3)122)93(162-107)75(130)61(128)44-113/h39,41,58-69,71-105,113-121,126-128,130-143H,7-38,40,42-53H2,1-6H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,129)(H,144,145)/b41-39+/t58-,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-,107-/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@]9(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O9)C8O)[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)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph