54G

2-hydroxy-5-methylbenzoic acid

Created:	2015-07-23
Last modified:	2024-09-27

Find Related PDB Entry
5 entries where 54G is found as a standalone ligand1 entries where 54G is covalently linked to polymer or other heterogen groups

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 54G

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-hydroxy-5-methylbenzoic acid
Systematic Name (OpenEye OEToolkits)	5-methyl-2-oxidanyl-benzoic acid
Formula	C₈ H₈ O₃
Molecular Weight	152.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(c(cc1C)C(O)=O)O
SMILES	CACTVS	3.385	Cc1ccc(O)c(c1)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(c(c1)C(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(O)c(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(c(c1)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey	InChI	1.03	DLGBEGBHXSAQOC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6973
ChEMBL	CHEMBL1161012
CCDC/CSD	BESKEP01, BESKEP
COD	7208268

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.