sialyl-Lex(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM24548 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C81H145N3O35 charge 0 mass 1719.96586 reference lipidmapsM:LMSP0601EE03 InChIKey INPIFEWOCSIHPQ-MZYRNVNNSA-N InChI InChI=1S/C81H145N3O35/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-56(95)84-48(49(92)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)44-108-76-66(103)64(101)69(54(42-88)113-76)114-78-67(104)73(61(98)52(40-86)110-78)117-75-58(83-47(5)91)72(116-77-65(102)63(100)59(96)45(3)109-77)70(55(43-89)112-75)115-79-68(105)74(62(99)53(41-87)111-79)119-81(80(106)107)38-50(93)57(82-46(4)90)71(118-81)60(97)51(94)39-85/h34,36,45,48-55,57-79,85-89,92-94,96-105H,6-33,35,37-44H2,1-5H3,(H,82,90)(H,83,91)(H,84,95)(H,106,107)/b36-34+/t45?,48-,49+,50?,51+,52?,53?,54?,55?,57+,58?,59+,60+,61-,62-,63?,64+,65-,66?,67?,68?,69+,70+,71?,72+,73-,74-,75-,76+,77+,78-,79-,81-/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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)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)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph