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

Properties Image Occurences in reactions MNX_ID MNXM26313 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C92H162N4O39 charge 0 mass 1947.08162 reference lipidmapsM:LMSP0601EG08 InChIKey CLQQDJDNIICVIC-FHKWNFPWSA-N InChI InChI=1S/C92H162N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(110)96-56(57(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-124-86-76(117)75(116)80(65(51-102)128-86)130-87-77(118)83(71(112)61(47-98)125-87)131-85-69(95-55(5)105)74(115)79(64(50-101)127-85)129-88-78(119)84(72(113)62(48-99)126-88)135-92(90(122)123)45-59(108)68(94-54(4)104)82(134-92)73(114)63(49-100)132-91(89(120)121)44-58(107)67(93-53(3)103)81(133-91)70(111)60(109)46-97/h20-21,40,42,56-65,67-88,97-102,106-109,111-119H,6-19,22-39,41,43-52H2,1-5H3,(H,93,103)(H,94,104)(H,95,105)(H,96,110)(H,120,121)(H,122,123)/b21-20-,42-40+/t56-,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-,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(C)=O)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