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- ChemComp-NAG: N-ACETYL-D-GLUCOSAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: NAG

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NameName: N-acetyl-D-glucosamine / Type: D-SACCHARIDE (ATOMS)
Composition
Formula: C8H15NO6 / Number of atoms: 30 / Formula weight: 221.208 / Formal charge: 0
WikipediaWikipedia - N-Acetylglucosamine:

N-Acetylglucosamine is a monosaccharide and a derivative of glucose. It is an amide between glucosamine and acetic acid...

DateCreate component: Jul 8, 1999 / Modify descriptor: Jun 4, 2011 / Modify leaving atom flag: Jul 1, 2011 / Modify leaving atom flag: Nov 26, 2012
External linksTOXNET,NIH / PubChem

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(NC1C(O)C(O)C(OC1O)CO)C
CACTVS 3.370CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6CC(=O)NC1C(C(C(OC1O)CO)O)O

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SMILES CANONICAL

CACTVS 3.370CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03OVRNDRQMDRJTHS-FMDGEEDCSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(acetylamino)-2-deoxy-beta-D-glucopyranose
OpenEye OEToolkits 1.7.6N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

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