an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl derivative

Properties Image MNX_ID MNXM736253 reference chebi:140309 formula C28H43N2O22* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)O2)[C@H]1O MNX internals InChI (mnx) InChI=1/C29H48N2O22/c1-9(35)30-16-11(37)4-28(26(44)45,51-22(16)18(40)13(39)6-32)50-15(8-34)20(42)23-17(31-10(2)36)12(38)5-29(52-23,27(46)47)53-24-19(41)14(7-33)49-25(48-3)21(24)43/h11-25,32-34,37-43H,4-8H2,1-3H3,(H,30,35)(H,31,36)(H,44,45)(H,46,47)/t11-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+,28+,29-/m0/s1/i3+1 SMILES (mnx) [CH3:1][C:9](=[N:30][C@@H:16]1[C@@H:11]([OH:37])[CH2:4][C@@:28]([C:26](=[O:44])[OH:45])([O:50][C@H:15]([CH2:8][OH:34])[C@H:20]([C@H:23]2[C@H:17]([N:31]=[C:10]([CH3:2])[OH:36])[C@@H:12]([OH:38])[CH2:5][C@@:29]([C:27](=[O:46])[OH:47])([O:53][C@H:24]3[C@@H:19]([OH:41])[C@@H:14]([CH2:7][OH:33])[O:49][C@@H:25]([O:48][13CH3:3])[C@@H:21]3[OH:43])[O:52]2)[OH:42])[O:51][C@H:22]1[C@@H:18]([C@@H:13]([CH2:6][OH:32])[OH:39])[OH:40])[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1