2-O-sulfo-alpha,alpha-trehalose

Properties Image MNX_ID MNXM40917 reference chebi:60091 formula C12H21O14S global charge -1 mol weight 421.353 InChIKey WVFKPISWLUJJIJ-LIZSDCNHSA-M InChI InChI=1S/C12H22O14S/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12/h3-19H,1-2H2,(H,20,21,22)/p-1/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 SMILES O=S(=O)([O-])O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[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/C12H22O14S/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:3]1[C@@H:5]([OH:15])[C@H:7]([OH:17])[C@@H:9]([OH:19])[C@@H:11]([O:25][C@@H:12]2[C@H:10]([O:26][S:27]([OH:20])(=[O:21])=[O:22])[C@@H:8]([OH:18])[C@H:6]([OH:16])[C@@H:4]([CH2:2][OH:14])[O:24]2)[O:23]1)[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 7