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

Properties Image Occurences in reactions MNX_ID MNXM28977 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H164N4O41 charge 0 mass 1993.0871 reference lipidmapsM:LMSP0601EL07 InChIKey QHQLDJUUWSGUPF-YCVUKAGSSA-N InChI InChI=1S/C93H164N4O41/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(111)97-54(55(108)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-125-88-75(119)74(118)80(63(49-104)131-88)133-90-76(120)83(70(114)59(45-100)128-90)135-86-66(95-52(4)106)73(117)79(62(48-103)130-86)132-89-77(121)84(71(115)60(46-101)127-89)136-87-67(96-53(5)107)81(69(113)58(44-99)126-87)134-91-78(122)85(72(116)61(47-102)129-91)138-93(92(123)124)42-56(109)65(94-51(3)105)82(137-93)68(112)57(110)43-98/h20-21,38,40,54-63,65-91,98-104,108-110,112-122H,6-19,22-37,39,41-50H2,1-5H3,(H,94,105)(H,95,106)(H,96,107)(H,97,111)(H,123,124)/b21-20-,40-38+/t54-,55+,56?,57+,58?,59?,60?,61?,62?,63?,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-,90-,91-,93-/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@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)C5NC(C)=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