NeuAcalpha2-6Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM28965 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C79H141N3O36 charge 0 mass 1707.92948 reference lipidmapsM:LMSP0601GL02 InChIKey IFOWQSBXGJDBIA-LTDPFPGYSA-N InChI InChI=1S/C79H141N3O36/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(93)82-45(46(90)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-107-74-65(102)63(100)68(52(40-87)112-74)114-76-67(104)72(61(98)51(39-86)110-76)117-77-66(103)71(60(97)50(38-85)111-77)116-73-56(81-44(4)89)69(59(96)49(37-84)109-73)115-75-64(101)62(99)58(95)53(113-75)42-108-79(78(105)106)35-47(91)55(80-43(3)88)70(118-79)57(94)48(92)36-83/h31,33,45-53,55-77,83-87,90-92,94-104H,5-30,32,34-42H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,105,106)/b33-31+/t45-,46+,47?,48+,49?,50?,51?,52?,53?,55+,56?,57+,58-,59-,60-,61-,62-,63+,64?,65?,66?,67?,68+,69+,70?,71-,72-,73-,74+,75-,76-,77+,79+/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](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)C5O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph