Chemical Components in the PDB

pdbe.org/chem
spacer

FIF : Summary

Code

FIF

One-letter code

X

Molecule name

2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form

Systematic names

ProgramVersionName
ACDLabs 12.01 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid
OpenEye OEToolkits 1.7.6 (2R,3S,4S,5S)-5-fluoranyl-3,4-bis(oxidanyl)oxane-2-carboxylic acid

Formula

C6 H9 F O5

Formal charge

0

Molecular weight

180.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC1C(O)C(O)C(OC1)C(=O)O
SMILES CACTVS 3.370 O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1C(C(C(C(O1)C(=O)O)O)O)F
Canonical SMILES CACTVS 3.370 O[C@@H]1[C@@H](F)CO[C@H]([C@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F

IUPAC InChI

InChI=1S/C6H9FO5/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,8-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1

IUPAC InChI key

KRAJNEOUENOZDR-SKNVOMKLSA-N
FIF

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-07

Last modified at

2013-09-13

Status

Released

Obsoleted

Not Assigned