Chemical Components in the PDB

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GUZ : Summary

Code

GUZ

One-letter code

X

Molecule name

2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid
OpenEye OEToolkits 1.7.6 (2S,3S,4S,5R,6S)-5-fluoranyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

Formula

C6 H9 F O6

Formal charge

0

Molecular weight

196.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC1C(O)C(O)C(OC1O)C(=O)O
SMILES CACTVS 3.370 O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1(C(C(OC(C1F)O)C(=O)O)O)O
Canonical SMILES CACTVS 3.370 O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O

IUPAC InChI

InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m1/s1

IUPAC InChI key

LDVYRSUUUDDWHG-CLQWQSTFSA-N
GUZ

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2012-02-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned