Chemical Components in the PDB

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2DG : Summary

Code

2DG

One-letter code

X

Molecule name

2-deoxy-alpha-D-galactopyranose

Synonyms

2-deoxy-alpha-D-lyxo-hexopyranose
2-deoxy-alpha-D-galactose
2-deoxy-D-galactose
2-deoxy-galactose

Systematic names

ProgramVersionName
ACDLabs 10.04 2-deoxy-alpha-D-lyxo-hexopyranose
OpenEye OEToolkits 1.5.0 (2S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

Formula

C6 H12 O5

Formal charge

0

Molecular weight

164.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(OC(O)CC1O)CO
SMILES CACTVS 3.341 OC[CH]1O[CH](O)C[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C(OC1O)CO)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@H](O)C[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O

IUPAC InChI

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

IUPAC InChI key

PMMURAAUARKVCB-ARQDHWQXSA-N
2DG

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2001-10-02

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned