1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside

Properties Image MNX_ID MNXM732396 reference chebi:52442 formula C14H25NO11 global charge 0 mol weight 383.35 InChIKey MRKTUVZZZRUSQR-JPUVNKLSSA-N InChI InChI=1S/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17)/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17)/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-/m1/s1 SMILES (mnx) [CH3:1][C:3](=[N:15][C@@H:5]1[C@@H:7]([OH:19])[C@H:6]([OH:18])[C@@H:4]([CH2:2][OH:16])[O:25][C@@H:14]1[O:26][C@@H:13]1[C@H:11]([OH:23])[C@H:9]([OH:21])[C@@H:8]([OH:20])[C@H:10]([OH:22])[C@H:12]1[OH:24])[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 4