Chemical Components in the PDB

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2FG : Summary

Code

2FG

One-letter code

X

Molecule name

2-deoxy-2-fluoro-beta-D-galactopyranose

Synonyms

2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE
2-deoxy-2-fluoro-beta-D-galactose
2-deoxy-2-fluoro-D-galactose
2-deoxy-2-fluoro-galactose

Systematic names

ProgramVersionName
ACDLabs 11.02 2-deoxy-2-fluoro-beta-D-galactopyranose
OpenEye OEToolkits 1.6.1 (2R,3R,4S,5R,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

Formula

C6 H11 F O5

Formal charge

0

Molecular weight

182.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 FC1C(O)C(O)C(OC1O)CO
SMILES CACTVS 3.352 OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.0 C(C1C(C(C(C(O1)O)F)O)O)O
Canonical SMILES CACTVS 3.352 OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O

IUPAC InChI

InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1

IUPAC InChI key

ZCXUVYAZINUVJD-VFUOTHLCSA-N

Is part of

2FL
2FG

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta 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