Chemical Components in the PDB

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FMF : Summary

Code

FMF

One-letter code

X

Molecule name

2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE

Synonyms

2-DEOXY-2-FLUORO-ALPHA-D-MANNOSYL FLUORIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride
OpenEye OEToolkits 1.5.0 (2R,3S,4S,5S,6S)-5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol

Formula

C6 H10 F2 O4

Formal charge

0

Molecular weight

184.138 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC1C(O)C(O)C(OC1F)CO
SMILES CACTVS 3.341 OC[CH]1O[CH](F)[CH](F)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)F)F)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@@H](F)[C@@H](F)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O

IUPAC InChI

InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1

IUPAC InChI key

YZRDPODBASCWCK-CBPJZXOFSA-N
FMF

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-09-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned