NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM27701 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C79H141N3O31 charge 0 mass 1627.9549 reference lipidmapsM:LMSP0601ED07 InChIKey XNPKCFAOLPUNBD-JFZMLMAESA-N InChI InChI=1S/C79H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(92)82-50(51(89)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-104-75-68(100)66(98)71(56(45-86)108-75)111-77-69(101)73(63(95)54(43-84)106-77)112-74-60(81-49(4)88)64(96)70(55(44-85)107-74)110-76-67(99)65(97)62(94)57(109-76)47-105-79(78(102)103)41-52(90)59(80-48(3)87)72(113-79)61(93)53(91)42-83/h19-20,37,39,50-57,59-77,83-86,89-91,93-101H,5-18,21-36,38,40-47H2,1-4H3,(H,80,87)(H,81,88)(H,82,92)(H,102,103)/b20-19-,39-37+/t50-,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-,79+/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph