Chemical Components in the PDB

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G4D : Summary

Code

G4D

One-letter code

X

Molecule name

4-deoxy-alpha-D-glucopyranose

Synonyms

4-DEOXY-ALPHA-D-GLUCOSE
4-deoxy-D-glucose
4-deoxy-glucose

Systematic names

ProgramVersionName
ACDLabs 10.04 4-deoxy-alpha-D-xylo-hexopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,4S,6S)-6-(hydroxymethyl)oxane-2,3,4-triol

Formula

C6 H12 O5

Formal charge

0

Molecular weight

164.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1CC(OC(O)C1O)CO
SMILES CACTVS 3.341 OC[CH]1C[CH](O)[CH](O)[CH](O)O1
SMILES OpenEye OEToolkits 1.5.0 C1C(OC(C(C1O)O)O)CO
Canonical SMILES CACTVS 3.341 OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO

IUPAC InChI

InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1

IUPAC InChI key

HDEMQQHXNOJATE-AZGQCCRYSA-N
G4D

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

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned