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- ChemComp-GLG: ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: GLG
NameName: alpha-D-glucopyranosyl-2-carboxylic acid amide

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Chemical information

Composition
Formula: C7H13NO6 / Number of atoms: 27 / Formula weight: 207.181 / Formal charge: 0
Others

1gg8

Type: D-saccharide / PDB classification: ATOMS / Three letter code: GLG / Model coordinates PDB-ID: 1GG8
History
Create componentAug 8, 2000
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / Nikkaji / PubChem / SureChEMBL / 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 10.04O=C(N)C1OC(CO)C(O)C(O)C1O
CACTVS 3.341NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)C(=O)N)O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1

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InChIKey

InChI 1.03UKWLGCFJAVEFPE-DVKNGEFBSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name)
OpenEye OEToolkits 1.5.0(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide

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PDB entries

Showing all 1 items

PDB-1gg8:
DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS

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