Chemical Components in the PDB

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FKD : Summary

Code

FKD

One-letter code

X

Molecule name

3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
OpenEye OEToolkits 1.7.6 (2R,3R,4R,5R,6S)-3-fluoranyl-2,4,5-tris(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Formula

C9 H15 F O9

Formal charge

0

Molecular weight

286.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO
SMILES CACTVS 3.370 OC[CH](O)[CH](O)[CH]1O[C](O)([CH](F)[CH](O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(C1C(C(C(C(O1)(C(=O)O)O)F)O)O)O)O)O
Canonical SMILES CACTVS 3.370 OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)([C@H](F)[C@H](O)[C@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O

IUPAC InChI

InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1

IUPAC InChI key

KOWJBKIDVGQXJZ-QMFVTVPYSA-N
FKD

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-13

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned