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- ChemComp-CGF: C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: CGF
NameName: C-(1-azido-alpha-D-glucopyranosyl) formamide

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Chemical information

Composition
Formula: C7H14N4O6 / Number of atoms: 31 / Formula weight: 250.209 / Formal charge: 0
Others

1p4g

Type: D-saccharide / PDB classification: ATOMS / Three letter code: CGF / Model coordinates PDB-ID: 1P4G
History
Create componentApr 25, 2003
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / DrugBank / PubChem / 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 10.04[N-]=[N+]=N/C1(OC(C(O)C(O)C1O)CO)C(O)N
CACTVS 3.341N[CH](O)[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)N=[N+]=[N-]
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)(C(N)O)N=[N+]=[N-])O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1

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InChIKey

InChI 1.03LAKOUYZWWLMCSL-JBFGQTLDSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S,3R,4S,5S,6R)-2-[(R)-amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred
OpenEye OEToolkits 1.5.0(2S,3R,4S,5S,6R)-2-(amino-hydroxy-methyl)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol

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PDB entries

Showing all 1 items

PDB-1p4g:
Crystal structure of glycogen phosphorylase b in complex with C-(1-azido-alpha-D-glucopyranosyl)formamide

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