NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM27293 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C97H172N4O45 charge 0 mass 2113.12936 reference lipidmapsM:LMSP0601EX04 InChIKey CPJMXCHALVRWJD-PNOWVINASA-N InChI InChI=1S/C97H172N4O45/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-64(114)101-54(55(111)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)48-131-91-79(126)76(123)83(61(46-106)138-91)141-94-80(127)88(72(119)58(43-103)134-94)145-90-67(100-53(6)110)86(143-92-77(124)74(121)68(115)50(3)133-92)84(62(47-107)137-90)142-95-81(128)87(71(118)59(44-104)135-95)144-89-66(99-52(5)109)73(120)82(60(45-105)136-89)140-93-78(125)75(122)70(117)63(139-93)49-132-97(96(129)130)41-56(112)65(98-51(4)108)85(146-97)69(116)57(113)42-102/h37,39,50,54-63,65-95,102-107,111-113,115-128H,7-36,38,40-49H2,1-6H3,(H,98,108)(H,99,109)(H,100,110)(H,101,114)(H,129,130)/b39-37+/t50?,54-,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+,92+,93-,94-,95-,97+/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@]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[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph