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- ChemComp-DGO: D-glucal -

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Basic information

EntryDatabase: PDB chemical components / ID: DGO
NameName: D-glucal

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Chemical information

Composition
Formula: C6H10O4 / Number of atoms: 20 / Formula weight: 146.141 / Formal charge: 0
Others

5hjo

Type: D-saccharide / PDB classification: ATOMS / Three letter code: DGO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HJO
History
Create componentJan 14, 2016
Initial releaseJul 27, 2016
Other modificationJul 3, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01C=1OC(C(C(C=1)O)O)CO
CACTVS 3.385OC[CH]1OC=C[CH](O)[CH]1O
OpenEye OEToolkits 2.0.4C1=COC(C(C1O)O)CO

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1OC=C[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4C1=CO[C@@H]([C@H]([C@@H]1O)O)CO

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InChI

InChI 1.03InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1

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InChIKey

InChI 1.03YVECGMZCTULTIS-PBXRRBTRSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
OpenEye OEToolkits 2.0.4(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-dihydro-2~{H}-pyran-3,4-diol

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PDB entries

Showing all 2 items

PDB-5hjo:
Murine endoplasmic reticulum alpha-glucosidase II with bound substrate analogue

PDB-7vzs:
FAD-dpendent Glucose Dehydrogenase complexed with an inhibitor at pH7.56

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