Chemical Components in the PDB

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GFP : Summary

Code

GFP

One-letter code

X

Molecule name

2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose

Systematic names

ProgramVersionName
ACDLabs 10.04 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose
OpenEye OEToolkits 1.5.0 [(2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

Formula

C6 H12 F O8 P

Formal charge

0

Molecular weight

262.127 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC1OC(C(O)C(O)C1F)CO)(O)O
SMILES CACTVS 3.341 OC[CH]1O[CH](O[P](O)(O)=O)[CH](F)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)OP(=O)(O)O)F)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@H](O[P](O)(O)=O)[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)OP(=O)(O)O)F)O)O)O

IUPAC InChI

InChI=1S/C6H12FO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1

IUPAC InChI key

LXEHNDWFCMGWAY-QZABAPFNSA-N
GFP

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned