NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(Fucalpha1-3GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM27303 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H160N4O44 charge 0 mass 2013.04054 reference lipidmapsM:LMSP0601DX01 InChIKey DVQANOIYWUUDOT-BSSWPNSVSA-N InChI InChI=1S/C91H160N4O44/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-50(104)49(95-58(107)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)42-124-85-73(119)70(116)76(55(40-99)131-85)133-88-74(120)81(67(113)57(132-88)43-125-83-60(93-47(6)102)78(65(111)53(38-97)128-83)135-87-72(118)69(115)63(109)45(4)127-87)137-84-61(94-48(7)103)80(77(56(41-100)130-84)134-86-71(117)68(114)62(108)44(3)126-86)136-89-75(121)82(66(112)54(39-98)129-89)139-91(90(122)123)36-51(105)59(92-46(5)101)79(138-91)64(110)52(106)37-96/h32,34,44-45,49-57,59-89,96-100,104-106,108-121H,8-31,33,35-43H2,1-7H3,(H,92,101)(H,93,102)(H,94,103)(H,95,107)(H,122,123)/b34-32+/t44?,45?,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]3OC(CO)[C@@H](O)[C@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)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)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph