disialyl Lea(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM27337 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H158N4O43 charge 0 mass 1983.02998 reference lipidmapsM:LMSP0601EA02 InChIKey BLBUSSJBIRSQQE-GWEVHQDOSA-N InChI InChI=1S/C90H158N4O43/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-60(108)94-50(51(103)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)44-124-83-72(117)70(115)75(58(43-99)129-83)131-85-73(118)80(67(112)56(41-97)127-85)134-82-63(93-49(6)102)79(133-86-74(119)81(68(113)57(42-98)128-86)137-90(88(122)123)38-53(105)62(92-48(5)101)78(136-90)66(111)55(107)40-96)76(132-84-71(116)69(114)64(109)46(3)126-84)59(130-82)45-125-89(87(120)121)37-52(104)61(91-47(4)100)77(135-89)65(110)54(106)39-95/h33,35,46,50-59,61-86,95-99,103-107,109-119H,7-32,34,36-45H2,1-6H3,(H,91,100)(H,92,101)(H,93,102)(H,94,108)(H,120,121)(H,122,123)/b35-33+/t46?,50-,51+,52?,53?,54+,55+,56?,57?,58?,59?,61+,62+,63?,64+,65+,66+,67-,68-,69?,70+,71-,72?,73?,74?,75+,76+,77?,78?,79+,80-,81-,82-,83+,84+,85-,86-,89+,90-/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)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph