sialyl Lex(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM25294 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O45 charge 0 mass 2085.09806 reference lipidmapsM:LMSP0601EJ03 InChIKey VEJKYCLXGNSQBH-NGMBWMHRSA-N InChI InChI=1S/C95H168N4O45/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-62(113)99-52(53(110)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)47-129-89-75(123)73(121)80(60(45-105)136-89)138-92-76(124)84(68(116)56(41-101)132-92)141-87-64(97-50(5)108)71(119)79(59(44-104)134-87)137-91-77(125)85(69(117)57(42-102)131-91)142-88-65(98-51(6)109)83(140-90-74(122)72(120)66(114)48(3)130-90)81(61(46-106)135-88)139-93-78(126)86(70(118)58(43-103)133-93)144-95(94(127)128)39-54(111)63(96-49(4)107)82(143-95)67(115)55(112)40-100/h35,37,48,52-61,63-93,100-106,110-112,114-126H,7-34,36,38-47H2,1-6H3,(H,96,107)(H,97,108)(H,98,109)(H,99,113)(H,127,128)/b37-35+/t48?,52-,53+,54?,55+,56?,57?,58?,59?,60?,61?,63+,64?,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-,95-/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)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph