3-aminopropyl N-acetyl-6-O-sulfo-beta-D-glucosaminide

Properties Image MNX_ID MNXM150867 reference chebi:84767 formula C11H22N2O9S global charge 0 mol weight 358.369 InChIKey NKBMTWFJKBBURQ-ISUQUUIWSA-N InChI InChI=1S/C11H22N2O9S/c1-6(14)13-8-10(16)9(15)7(5-21-23(17,18)19)22-11(8)20-4-2-3-12/h7-11,15-16H,2-5,12H2,1H3,(H,13,14)(H,17,18,19)/t7-,8-,9-,10-,11-/m1/s1 SMILES CC(=O)N[C@H]1[C@H](OCCCN)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C11H22N2O9S/c1-6(14)13-8-10(16)9(15)7(5-21-23(17,18)19)22-11(8)20-4-2-3-12/h7-11,15-16H,2-5,12H2,1H3,(H,13,14)(H,17,18,19)/t7-,8-,9-,10-,11-/m1/s1 SMILES (mnx) [CH3:1][C:6](=[N:13][C@@H:8]1[C@@H:10]([OH:16])[C@H:9]([OH:15])[C@@H:7]([CH2:5][O:21][S:23]([OH:17])(=[O:18])=[O:19])[O:22][C@H:11]1[O:20][CH2:4][CH2:2][CH2:3][NH2:12])[OH:14]

Parent-child relations graph

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