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

Properties Image Occurences in reactions MNX_ID MNXM23664 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H160N4O45 charge 0 mass 2029.03546 reference lipidmapsM:LMSP0601DN01 InChIKey PGLCHASPLMXQOP-AHBHQPLVSA-N InChI InChI=1S/C91H160N4O45/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(105)48(95-58(108)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-125-85-73(120)70(117)77(55(40-100)132-85)135-88-74(121)81(66(113)57(133-88)43-126-83-60(93-46(5)103)67(114)76(54(39-99)130-83)134-87-72(119)69(116)64(111)52(37-97)128-87)138-84-61(94-47(6)104)80(78(56(41-101)131-84)136-86-71(118)68(115)62(109)44(3)127-86)137-89-75(122)82(65(112)53(38-98)129-89)140-91(90(123)124)35-50(106)59(92-45(4)102)79(139-91)63(110)51(107)36-96/h31,33,44,48-57,59-89,96-101,105-107,109-122H,7-30,32,34-43H2,1-6H3,(H,92,102)(H,93,103)(H,94,104)(H,95,108)(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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[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)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph