FQF

(2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol

Created:	2020-06-15
Last modified:	2021-04-28

Find Related PDB Entry
1 entries where FQF is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	0

2D diagram of FQF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
Systematic Name (OpenEye OEToolkits)	(2~{R})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
Formula	C₁₈ H₃₂ O₃
Molecular Weight	296.445
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO
SMILES	OpenEye OEToolkits	2.0.7	CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C
Canonical SMILES	CACTVS	3.385	CC(C)=CCCC(/C)=C/CC/C(C)=C/COC[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C
InChI	InChI	1.03	InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m1/s1
InChIKey	InChI	1.03	VGIZXGYRSPTVQF-LEAVJPGDSA-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.