sialyl Lex(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM24875 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C97H172N4O45 charge 0 mass 2113.12936 reference lipidmapsM:LMSP0601EJ04 InChIKey VHYDPOMMLWFNEX-WLEQRVLCSA-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(115)101-54(55(112)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)49-131-91-77(125)75(123)82(62(47-107)138-91)140-94-78(126)86(70(118)58(43-103)134-94)143-89-66(99-52(5)110)73(121)81(61(46-106)136-89)139-93-79(127)87(71(119)59(44-104)133-93)144-90-67(100-53(6)111)85(142-92-76(124)74(122)68(116)50(3)132-92)83(63(48-108)137-90)141-95-80(128)88(72(120)60(45-105)135-95)146-97(96(129)130)41-56(113)65(98-51(4)109)84(145-97)69(117)57(114)42-102/h37,39,50,54-63,65-95,102-108,112-114,116-128H,7-36,38,40-49H2,1-6H3,(H,98,109)(H,99,110)(H,100,111)(H,101,115)(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@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)[C@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph