Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

Obsolete: ADG

ADG was replaced with TOA on
Summary
Name:O-3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSE
Formula:C6 H14 N O5
Formal charge:1
Formula weight:180.179 Da
Component type:D-SACCHARIDE

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-ammonio-3-deoxy-alpha-D-glucopyranose
OpenEye OEToolkits1.5.0[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC1C([NH3+])C(O)C(OC1O)CO
InChIInChI1.02bInChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1/fC6H14NO5/h7H/q+1
InChIKeyInChI1.02bBQCCAEOLPYCBAE-OBIIYFBIDX
SMILES_CANONICALCACTVS3.341[NH3+][C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
SMILESCACTVS3.341[NH3+][CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)O)O)[NH3+])O)O

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon