FPQ

(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid

Created:	2011-11-21
Last modified:	2011-11-21

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4 entries where FPQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	0

2D diagram of FPQ

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Chemical Component Summary
Name	(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
Systematic Name (OpenEye OEToolkits)	(2R)-3-phosphonooxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
Formula	C₁₈ H₃₁ O₇ P
Molecular Weight	390.408
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(OC/C=C(/C)CC\C=C(/C)CC\C=C(/C)C)COP(=O)(O)O
SMILES	CACTVS	3.370	CC(C)=CCCC(C)=CCCC(C)=CCO[CH](CO[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=CCCC(=CCCC(=CCOC(COP(=O)(O)O)C(=O)O)C)C)C
Canonical SMILES	CACTVS	3.370	CC(C)=CCCC(/C)=C/CCC(\C)=C/CO[C@H](CO[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C
InChI	InChI	1.03	InChI=1S/C18H31O7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-24-17(18(19)20)13-25-26(21,22)23/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,19,20)(H2,21,22,23)/b15-9+,16-11-/t17-/m1/s1
InChIKey	InChI	1.03	SLQQIKXGDCLCGX-XLGHFPRDSA-N

Related Resource References

Resource Name	Reference
PubChem	56955949

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.