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

Properties Image Occurences in reactions MNX_ID MNXM24617 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H164N4O41 charge 0 mass 1993.0871 reference lipidmapsM:LMSP0601EH07 InChIKey XOXKVWKEZSNWLW-AUHMBPHJSA-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(110)97-54(55(107)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-125-88-77(120)75(118)82(62(48-103)131-88)135-91-79(122)85(71(114)59(45-100)128-91)137-87-67(96-53(5)106)73(116)81(61(47-102)130-87)134-90-78(121)84(70(113)58(44-99)127-90)136-86-66(95-52(4)105)72(115)80(60(46-101)129-86)133-89-76(119)74(117)69(112)63(132-89)50-126-93(92(123)124)42-56(108)65(94-51(3)104)83(138-93)68(111)57(109)43-98/h20-21,38,40,54-63,65-91,98-103,107-109,111-122H,6-19,22-37,39,41-50H2,1-5H3,(H,94,104)(H,95,105)(H,96,106)(H,97,110)(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]6OC(CO[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)C6O)[C@H](O)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