HQU

3-HYDROXYQUINALDIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where HQU 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	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of HQU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-HYDROXYQUINALDIC ACID
Systematic Name (OpenEye OEToolkits)	3-hydroxyquinoline-2-carboxylic acid
Formula	C₁₀ H₇ N O₃
Molecular Weight	189.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1nc2ccccc2cc1O
SMILES	CACTVS	3.341	OC(=O)c1nc2ccccc2cc1O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(c(n2)C(=O)O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1nc2ccccc2cc1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(c(n2)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)
InChIKey	InChI	1.03	WHKZBVQIMVUGIH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	194859

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.