Chemical Components in the PDB

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0FV : Summary

Code

0FV

One-letter code

X

Molecule name

(2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate

Synonyms

2-fluorogeranyl diphosphate

Systematic names

ProgramVersionName
ACDLabs 12.01 (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
OpenEye OEToolkits 1.7.6 [(2Z)-2-fluoranyl-3,7-dimethyl-octa-2,6-dienyl] phosphono hydrogen phosphate

Formula

C10 H19 F O7 P2

Formal charge

0

Molecular weight

332.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OP(=O)(OCC(\F)=C(/C)CC\C=C(/C)C)O
SMILES CACTVS 3.370 CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C
Canonical SMILES CACTVS 3.370 CC(C)=CCCC(/C)=C(F)/CO[P](O)(=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C

IUPAC InChI

InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9-

IUPAC InChI key

BYJNSLXDWGDGAC-KTKRTIGZSA-N
0FV

wwPDB Information

Atom count

39 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned