NeuAcalpha2-3Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM28019 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H160N4O45 charge 0 mass 2029.03546 reference lipidmapsM:LMSP0601FM01 InChIKey WWOOUIIALZYMCG-IZDOFRFGSA-N InChI InChI=1S/C91H160N4O45/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(106)48(95-58(109)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)43-125-85-72(120)70(118)76(57(42-102)132-85)133-87-73(121)79(65(113)53(38-98)128-87)136-83-60(93-46(5)104)68(116)75(56(41-101)131-83)134-89-82(138-86-71(119)69(117)62(110)44(3)126-86)81(67(115)55(40-100)130-89)137-84-61(94-47(6)105)77(64(112)52(37-97)127-84)135-88-74(122)80(66(114)54(39-99)129-88)140-91(90(123)124)35-50(107)59(92-45(4)103)78(139-91)63(111)51(108)36-96/h31,33,44,48-57,59-89,96-102,106-108,110-122H,7-30,32,34-43H2,1-6H3,(H,92,103)(H,93,104)(H,94,105)(H,95,109)(H,123,124)/b33-31+/t44?,48-,49+,50?,51+,52?,53?,54?,55?,56?,57?,59+,60?,61?,62+,63+,64-,65-,66-,67-,68+,69?,70+,71-,72?,73?,74?,75+,76+,77+,78?,79-,80-,81-,82?,83-,84+,85+,86+,87-,88-,89-,91-/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](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](O)CO)O7)C6O)C5NC(C)=O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph