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- ChemComp-2DG: 2-deoxy-alpha-D-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: 2DG
NameName: 2-deoxy-alpha-D-galactopyranose
Synonyms: 2-deoxy-alpha-D-lyxo-hexopyranose; 2-deoxy-alpha-D-galactose; 2-deoxy-D-galactose; 2-deoxy-galactose

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Chemical information

Composition
Formula: C6H12O5 / Number of atoms: 23 / Formula weight: 164.156 / Formal charge: 0
Others

1jz3

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: 2DG / Model coordinates PDB-ID: 1JZ3
History
Create componentOct 2, 2001
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / DrugBank / Nikkaji / PubChem / 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 10.04OC1C(OC(O)CC1O)CO
CACTVS 3.341OC[CH]1O[CH](O)C[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(OC1O)CO)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1O[C@H](O)C[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O

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InChI

InChI 1.03InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1

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InChIKey

InChI 1.03PMMURAAUARKVCB-ARQDHWQXSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-deoxy-alpha-D-lyxo-hexopyranose
OpenEye OEToolkits 1.5.0(2S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

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PDB entries

Showing all 5 items

PDB-1jz3:
E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-DEOXY-GALACTOSYL ENZYME INTERMEDIATE

PDB-1jz4:
E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-DEOXY-GALACTOSYL-ENZYME INTERMEDIATE (Low Bis-Tris)

PDB-4ccd:
STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH D-GALACTAL: ENZYME- INTERMEDIATE COMPLEX

PDB-4duv:
E. coli (lacZ) beta-galactosidase (G974A) 2-deoxy-galactosyl-enzyme and bis-Tris complex

PDB-6qud:
2-deoxy-galactose reaction intermediate of a Truncated beta-galactosidase III from Bifidobacterium bifidum

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