Sialyl-Lea(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM23978 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C83H149N3O35 charge 0 mass 1747.99716 reference lipidmapsM:LMSP0601CH04 InChIKey ZVJOVAZMGYFSAT-PYPPYMCWSA-N InChI InChI=1S/C83H149N3O35/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-58(97)86-50(51(94)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)46-110-78-68(105)65(102)72(55(43-89)114-78)117-80-69(106)66(103)71(56(44-90)115-80)116-77-60(85-49(5)93)75(73(57(45-91)113-77)118-79-67(104)64(101)61(98)47(3)111-79)119-81-70(107)76(63(100)54(42-88)112-81)121-83(82(108)109)40-52(95)59(84-48(4)92)74(120-83)62(99)53(96)41-87/h36,38,47,50-57,59-81,87-91,94-96,98-107H,6-35,37,39-46H2,1-5H3,(H,84,92)(H,85,93)(H,86,97)(H,108,109)/b38-36+/t47?,50-,51+,52?,53+,54?,55?,56?,57?,59+,60?,61+,62+,63-,64?,65+,66+,67-,68?,69?,70?,71-,72+,73-,74?,75+,76-,77-,78+,79+,80-,81-,83-/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]3OC(CO)[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)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph