FPG

(1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE

Created:	2007-01-24
Last modified:	2011-06-04

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1 entries where FPG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	2
Bond Count	42
Aromatic Bond Count	0

2D diagram of FPG

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Chemical Component Summary
Name	(1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(3S)-2-fluoro-3,7-dimethyl-octan-3-yl] phosphono hydrogen phosphate
Formula	C₁₀ H₂₃ F O₇ P₂
Molecular Weight	336.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OP(=O)(OC(C(F)C)(C)CCCC(C)C)O)(O)O
SMILES	CACTVS	3.341	CC(C)CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)[CH](C)F
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCCC(C)(C(C)F)OP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CC(C)CCC[C@](C)(O[P@](O)(=O)O[P](O)(O)=O)[C@@H](C)F
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9-,10+/m1/s1
InChIKey	InChI	1.03	JUOIVVAWJCVSPX-ZJUUUORDSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.