NAG

Summary
Name:2-acetamido-2-deoxy-beta-D-glucopyranose
Synonyms:N-acetyl-beta-D-glucosamine
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE
Formula:C8 H15 N O6
Formal charge:0
Formula weight:221.208 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(acetylamino)-2-deoxy-beta-D-glucopyranose
OpenEye OEToolkits1.7.6N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
GMML1.0DGlcpNAcb
GMML1.0N-acetyl-b-D-glucopyranosamine
PDB-CARE1.0b-D-GlcpNAc
GMML1.0GlcNAc

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1C(O)C(O)C(OC1O)CO)C
InChIInChI1.03InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyInChI1.03OVRNDRQMDRJTHS-FMDGEEDCSA-N
SMILES_CANONICALCACTVS3.370CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
SMILESCACTVS3.370CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
SMILESOpenEye OEToolkits1.7.6CC(=O)NC1C(C(C(OC1O)CO)O)O

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PDB entries from 2021-06-09