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- ChemComp-GCS: 2-amino-2-deoxy-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: GCS
NameName: 2-amino-2-deoxy-beta-D-glucopyranose
Synonyms: beta-D-glucosamine; 2-amino-2-deoxy-beta-D-glucose; 2-amino-2-deoxy-D-glucose; 2-amino-2-deoxy-glucose; D-GLUCOSAMINE

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Chemical information

Composition
Formula: C6H13NO5 / Number of atoms: 25 / Formula weight: 179.171 / Formal charge: 0
Others

1qgi

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: GCS / Model coordinates PDB-ID: 1QGI
History
Create componentJun 20, 2000
Modify descriptorJun 4, 2011
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04OC1C(O)C(OC(O)C1N)CO
CACTVS 3.341N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)O

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SMILES CANONICAL

CACTVS 3.341N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O

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InChI

InChI 1.03InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1

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InChIKey

InChI 1.03MSWZFWKMSRAUBD-QZABAPFNSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-amino-2-deoxy-beta-D-glucopyranose
OpenEye OEToolkits 1.5.0(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGlcpNb

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COMMON NAME

GMML 1.0b-D-glucopyranosamine

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-GlcpN

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0GlcN

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