VWE

2-fluoranyl-5-sulfo-benzoic acid

Created:	2023-04-12
Last modified:	2024-01-24

Find Related PDB Entry
1 entries where VWE 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	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of VWE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-fluoranyl-5-sulfo-benzoic acid
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-5-sulfo-benzoic acid
Formula	C₇ H₅ F O₅ S
Molecular Weight	220.175
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cc(ccc1F)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)O)C(=O)O)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(ccc1F)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)O)C(=O)O)F
InChI	InChI	1.06	InChI=1S/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13)
InChIKey	InChI	1.06	DAYQUMDMVVFSIW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1652738

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.