NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25254 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C105H185N5O52 charge 0 mass 2348.19856 reference lipidmapsM:LMSP0601EQ04 InChIKey RCRKFFBFMCHTJD-CGAYPFGSSA-N InChI InChI=1S/C105H185N5O52/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-67(126)109-55(56(123)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)50-145-99-84(139)82(137)91(65(48-118)153-99)158-101-85(140)93(75(130)60(43-113)148-101)159-97-71(107-53(4)121)79(134)89(63(46-116)151-97)156-102-86(141)94(77(132)66(154-102)51-146-96-70(106-52(3)120)78(133)88(62(45-115)150-96)155-100-83(138)81(136)74(129)59(42-112)147-100)160-98-72(108-54(5)122)80(135)90(64(47-117)152-98)157-103-87(142)95(76(131)61(44-114)149-103)162-105(104(143)144)40-57(124)69(110-68(127)49-119)92(161-105)73(128)58(125)41-111/h36,38,55-66,69-103,111-119,123-125,128-142H,6-35,37,39-51H2,1-5H3,(H,106,120)(H,107,121)(H,108,122)(H,109,126)(H,110,127)(H,143,144)/b38-36+/t55-,56+,57?,58+,59?,60?,61?,62?,63?,64?,65?,66?,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-,105-/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]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)[C@H](O)C5NC(C)=O)[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(=O)CO)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph