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

9GP

Summary
Name:N-(hydroxyacetyl)-beta-D-glucopyranosylamine
Synonyms:N-(hydroxyacetyl)-beta-D-glucosylamine
N-(hydroxyacetyl)-D-glucosylamine; N-(hydroxyacetyl)-glucosylamine
Formula:C8 H15 N O7
Formal charge:0
Formula weight:237.207 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(hydroxyacetyl)-beta-D-glucopyranosylamine
OpenEye OEToolkits1.5.02-hydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC1OC(C(O)C(O)C1O)CO)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@@H](NC(=O)CO)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](NC(=O)CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)NC(=O)CO)O)O)O)O
InChIInChI1.03InChI=1S/C8H15NO7/c10-1-3-5(13)6(14)7(15)8(16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6+,7-,8-/m1/s1
InChIKeyInChI1.03DIGPTJYOVRRBRM-RHROMQPHSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon