4,6-di-O-sulfo-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine

Properties Image MNX_ID MNXM101945 reference chebi:65181 formula C14H25NO17S2 global charge 0 mol weight 543.478 InChIKey LFVSWNJMWOIIQD-NOMZAEOMSA-N InChI InChI=1S/C14H25NO17S2/c1-4(17)15-7-8(18)11(5(2-16)29-13(7)21)31-14-10(20)9(19)12(32-34(25,26)27)6(30-14)3-28-33(22,23)24/h5-14,16,18-21H,2-3H2,1H3,(H,15,17)(H,22,23,24)(H,25,26,27)/t5-,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1 SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C14H25NO17S2/c1-4(17)15-7-8(18)11(5(2-16)29-13(7)21)31-14-10(20)9(19)12(32-34(25,26)27)6(30-14)3-28-33(22,23)24/h5-14,16,18-21H,2-3H2,1H3,(H,15,17)(H,22,23,24)(H,25,26,27)/t5-,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1 SMILES (mnx) [CH3:1][C:4](=[N:15][C@@H:7]1[C@@H:8]([OH:18])[C@H:11]([O:31][C@H:14]2[C@H:10]([OH:20])[C@@H:9]([OH:19])[C@@H:12]([O:32][S:34]([OH:25])(=[O:26])=[O:27])[C@@H:6]([CH2:3][O:28][S:33]([OH:22])(=[O:23])=[O:24])[O:30]2)[C@@H:5]([CH2:2][OH:16])[O:29][C@H:13]1[OH:21])[OH:17]

Parent-child relations graph

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