NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM29398 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C87H154N4O40 charge 0 mass 1895.01394 reference lipidmapsM:LMSP0601DM02 InChIKey WGTHGCQGBTYEQF-TYRJLBQOSA-N InChI InChI=1S/C87H154N4O40/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-58(103)91-49(50(100)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)43-118-82-71(113)69(111)74(55(41-95)124-82)126-84-72(114)78(66(108)57(125-84)44-119-80-60(89-47(5)98)67(109)64(106)53(39-93)121-80)129-81-61(90-48(6)99)77(75(56(42-96)123-81)127-83-70(112)68(110)62(104)45(3)120-83)128-85-73(115)79(65(107)54(40-94)122-85)131-87(86(116)117)37-51(101)59(88-46(4)97)76(130-87)63(105)52(102)38-92/h33,35,45,49-57,59-85,92-96,100-102,104-115H,7-32,34,36-44H2,1-6H3,(H,88,97)(H,89,98)(H,90,99)(H,91,103)(H,116,117)/b35-33+/t45?,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-,87-/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]3OC(CO)[C@@H](O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[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](O)CO)O5)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph