Chemical Components in the PDB

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FGG : Summary

Code

FGG

One-letter code

X

Molecule name

(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate

Synonyms

2-fluoro-geranylgeranyl diphosphate

Systematic names

ProgramVersionName
ACDLabs 12.01 (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
OpenEye OEToolkits 1.7.0 [(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl] phosphono hydrogen phosphate

Formula

C20 H35 F O7 P2

Formal charge

0

Molecular weight

468.434 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OP(=O)(OCC(\F)=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O
SMILES CACTVS 3.370 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(=CCCC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C)C
Canonical SMILES CACTVS 3.370 CC(C)=CCC/C(C)=C/CC/C(C)=C/CC\C(C)=C(F)\CO[P](O)(=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C

IUPAC InChI

InChI=1S/C20H35FO7P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-27-30(25,26)28-29(22,23)24/h9,11,13H,6-8,10,12,14-15H2,1-5H3,(H,25,26)(H2,22,23,24)/b17-11+,18-13+,20-19-

IUPAC InChI key

NZHGLLPGXYKTDW-HAQLZSGTSA-N
FGG

wwPDB Information

Atom count

65 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-10-22

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned