NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM28273 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C87H154N4O42 charge 0 mass 1927.00376 reference lipidmapsM:LMSP0601EO02 InChIKey NSWJSTBDTGBVFS-IWLPXDGTSA-N InChI InChI=1S/C87H154N4O42/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-57(105)90-47(48(102)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)44-120-82-69(114)68(113)75(56(42-98)126-82)129-84-71(116)78(64(109)52(38-94)122-84)131-80-60(88-45(3)100)66(111)73(54(40-96)124-80)127-83-70(115)77(63(108)51(37-93)121-83)130-81-61(89-46(4)101)67(112)74(55(41-97)125-81)128-85-72(117)79(65(110)53(39-95)123-85)133-87(86(118)119)35-49(103)59(91-58(106)43-99)76(132-87)62(107)50(104)36-92/h31,33,47-56,59-85,92-99,102-104,107-117H,5-30,32,34-44H2,1-4H3,(H,88,100)(H,89,101)(H,90,105)(H,91,106)(H,118,119)/b33-31+/t47-,48+,49?,50+,51?,52?,53?,54?,55?,56?,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](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]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(=O)CO)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph