NeuAcalpha2-8NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27680 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C92H162N4O40 charge 0 mass 1963.07654 reference lipidmapsM:LMSP0601FH08 InChIKey KRMSLGXIQZGDOZ-WMDQMHITSA-N InChI InChI=1S/C92H162N4O40/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(110)95-55(56(106)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)52-125-86-76(118)75(117)80(64(50-102)129-86)131-87-77(119)83(71(113)60(46-98)126-87)132-85-69(94-54(4)105)74(116)79(63(49-101)128-85)130-88-78(120)84(72(114)61(47-99)127-88)136-92(90(123)124)44-58(108)68(96-66(111)51-103)82(135-92)73(115)62(48-100)133-91(89(121)122)43-57(107)67(93-53(3)104)81(134-91)70(112)59(109)45-97/h19-20,39,41,55-64,67-88,97-103,106-109,112-120H,5-18,21-38,40,42-52H2,1-4H3,(H,93,104)(H,94,105)(H,95,110)(H,96,111)(H,121,122)(H,123,124)/b20-19-,41-39+/t55-,56+,57?,58?,59+,60?,61?,62+,63?,64?,67+,68+,69?,70+,71-,72-,73+,74+,75+,76?,77?,78?,79+,80+,81?,82?,83-,84-,85-,86+,87-,88-,91+,92-/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@]5(C(=O)O)CC(O)[C@@H](NC(=O)CO)C([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)O5)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