V33

(3-methoxyphenyl)acetic acid

Created:	2022-08-29
Last modified:	2022-11-02

Find Related PDB Entry
1 entries where V33 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	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of V33

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(3-methoxyphenyl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-(3-methoxyphenyl)ethanoic acid
Formula	C₉ H₁₀ O₃
Molecular Weight	166.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc(CC(=O)O)ccc1
SMILES	CACTVS	3.385	COc1cccc(CC(O)=O)c1
SMILES	OpenEye OEToolkits	2.0.7	COc1cccc(c1)CC(=O)O
Canonical SMILES	CACTVS	3.385	COc1cccc(CC(O)=O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cccc(c1)CC(=O)O
InChI	InChI	1.06	InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey	InChI	1.06	LEGPZHPSIPPYIO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15719
ChEMBL	CHEMBL345053
ChEBI	CHEBI:88719
CCDC/CSD	LUDHUN
COD	2201335

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.