N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine

Properties Image MNX_ID MNXM107008 reference chebi:71557 formula C19H32N2O14 global charge 0 mol weight 512.465 InChIKey CZOGCRVBCLRHQJ-NAFGUXDZSA-N InChI InChI=1S/C19H32N2O14/c1-6(23)20-11-8(25)3-19(18(31)32,35-16(11)13(27)9(26)4-22)33-5-10-14(28)15(29)12(17(30)34-10)21-7(2)24/h8-17,22,25-30H,3-5H2,1-2H3,(H,20,23)(H,21,24)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17-,19-/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O MNX internals InChI (mnx) InChI=1/C19H32N2O14/c1-6(23)20-11-8(25)3-19(18(31)32,35-16(11)13(27)9(26)4-22)33-5-10-14(28)15(29)12(17(30)34-10)21-7(2)24/h8-17,22,25-30H,3-5H2,1-2H3,(H,20,23)(H,21,24)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17-,19-/m0/s1 SMILES (mnx) [CH3:1][C:6](=[N:20][C@@H:11]1[C@@H:8]([OH:25])[CH2:3][C@:19]([C:18](=[O:31])[OH:32])([O:33][CH2:5][C@@H:10]2[C@H:14]([OH:28])[C@H:15]([OH:29])[C@@H:12]([N:21]=[C:7]([CH3:2])[OH:24])[C@@H:17]([OH:30])[O:34]2)[O:35][C@H:16]1[C@@H:13]([C@@H:9]([CH2:4][OH:22])[OH:26])[OH:27])[OH:23]

Parent-child relations graph

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