6NA

HEXANOIC ACID

Created:	2006-07-05
Last modified:	2024-09-27

Find Related PDB Entry
25 entries where 6NA is found as a standalone ligand5 entries where 6NA is covalently linked to polymer or other heterogen groups 2 entries where 6NA is found in a polymer sequence

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	20
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

2D diagram of 6NA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	HEXANOIC ACID
Systematic Name (OpenEye OEToolkits)	hexanoic acid
Formula	C₆ H₁₂ O₂
Molecular Weight	116.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCC
SMILES	CACTVS	3.341	CCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey	InChI	1.03	FUZZWVXGSFPDMH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8892
ChEMBL	CHEMBL14184
ChEBI	CHEBI:30776
CCDC/CSD	LUNZAV, PIDJOD, ISENID, LATCIU, ZAKPOU
COD	7103925, 7050146

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.