disialyl Lea(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25424 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H166N4O43 charge 0 mass 2039.09258 reference lipidmapsM:LMSP0601EA04 InChIKey KIHTYHCJVWAQSI-PCWLGLSHSA-N InChI InChI=1S/C94H166N4O43/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-64(112)98-54(55(107)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)48-128-87-76(121)74(119)79(62(47-103)133-87)135-89-77(122)84(71(116)60(45-101)131-89)138-86-67(97-53(6)106)83(137-90-78(123)85(72(117)61(46-102)132-90)141-94(92(126)127)42-57(109)66(96-52(5)105)82(140-94)70(115)59(111)44-100)80(136-88-75(120)73(118)68(113)50(3)130-88)63(134-86)49-129-93(91(124)125)41-56(108)65(95-51(4)104)81(139-93)69(114)58(110)43-99/h37,39,50,54-63,65-90,99-103,107-111,113-123H,7-36,38,40-49H2,1-6H3,(H,95,104)(H,96,105)(H,97,106)(H,98,112)(H,124,125)(H,126,127)/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-,93+,94-/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@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)[C@@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph