ZFR

(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one

Created:	2015-06-29
Last modified:	2016-06-29

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3 entries where ZFR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

2D diagram of ZFR

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Chemical Component Summary
Name	(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
Systematic Name (OpenEye OEToolkits)	(E,10S)-1-[3,5-bis(oxidanyl)phenyl]-10-oxidanyl-undec-1-en-6-one
Formula	C₁₇ H₂₄ O₄
Molecular Weight	292.37
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O
SMILES	CACTVS	3.385	C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1
SMILES	OpenEye OEToolkits	1.9.2	CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O
Canonical SMILES	CACTVS	3.385	C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
InChI	InChI	1.03	InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1
InChIKey	InChI	1.03	TVXRLKRGDWQGQV-MXPWBENCSA-N

Related Resource References

Resource Name	Reference
PubChem	101224147

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.