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- ChemComp-DGM: D-GLUCOPYRANOSYLIUM -

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Basic information

EntryDatabase: PDB chemical components / ID: DGM
Status

ASO

Status: Obsoleted / Replaced by: ASO
NameName: D-glucopyranosylium

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Chemical information

Composition
Formula: C6H11O5 / Number of atoms: 22 / Formula weight: 163.149 / Formal charge: 1
Others

2asv

Type: D-SACCHARIDE / PDB classification: ATOMS / Three letter code: DGM / Model coordinates PDB-ID: 2ASV
History
Create componentAug 30, 2005
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(O)[CH+]OC1CO
CACTVS 3.341OC[CH]1O[CH+][CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0[CH+]1C(C(C(C(O1)CO)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.02bInChI=1/C6H11O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2-10H,1H2/q+1/t3-,4+,5+,6+/m0/s1

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InChIKey

InChI 1.02bUENHGZXMWVWJGF-SLPGGIOYBF

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SYSTEMATIC NAME

ACDLabs 10.04(3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylium
OpenEye OEToolkits 1.5.0(2R,3S,4R,5S)-2-(hydroxymethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ylium-3,4,5-triol

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