NK

SALICYLALDEHYDE

Created:	2005-11-14
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where NK 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	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of NK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	SALICYLALDEHYDE
Systematic Name (OpenEye OEToolkits)	2-hydroxybenzaldehyde
Formula	C₇ H₆ O₂
Molecular Weight	122.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Cc1ccccc1O
SMILES	CACTVS	3.341	Oc1ccccc1C=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)C=O)O
Canonical SMILES	CACTVS	3.341	Oc1ccccc1C=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)C=O)O
InChI	InChI	1.03	InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChIKey	InChI	1.03	SMQUZDBALVYZAC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL108925
PubChem	6998
ChEMBL	CHEMBL108925
ChEBI	CHEBI:16008
CCDC/CSD	RESQOW, UHIBAQ, SABCEF, EGUSUW, YADJOE, TIWKAO, FUBWIL
COD	2018250

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.