KNA

nonanoic acid

Created:	2011-09-30
Last modified:	2024-09-27

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14 entries where KNA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	0

2D diagram of KNA

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Chemical Component Summary
Name	nonanoic acid
Systematic Name (OpenEye OEToolkits)	nonanoic acid
Formula	C₉ H₁₈ O₂
Molecular Weight	158.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCCCCCCC
SMILES	CACTVS	3.370	CCCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CCCCCCCCC(=O)O
Canonical SMILES	CACTVS	3.370	CCCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CCCCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey	InChI	1.03	FBUKVWPVBMHYJY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8158
ChEMBL	CHEMBL108436
ChEBI	CHEBI:29019
CCDC/CSD	VEVZON, LUNZOJ, ISEPAX, HAPQUN, UXOBEP, VEVZIH, VEVYIG
COD	7103928, 7050149, 7206424, 7206426

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.