ChemComp-DGO: D-glucal

Basic information

• Entry: Database: PDB chemical components / ID: DGO
• Name: Name: D-glucal

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 component	Jan 14, 2016
Initial release	Jul 27, 2016
Other modification	Jul 3, 2020
Modify internal type	Jul 17, 2020
Modify linking type	Jul 17, 2020
Modify atom id	Jul 17, 2020
Modify component atom id	Jul 17, 2020

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: C=1OC(C(C(C=1)O)O)CO
• CACTVS 3.385: OC[CH]1OC=C[CH](O)[CH]1O
• OpenEye OEToolkits 2.0.4: C1=COC(C(C1O)O)CO

SMILES CANONICAL

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

InChI

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

InChIKey

• InChI 1.03: YVECGMZCTULTIS-PBXRRBTRSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: 1,5-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

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