DE1

DECAN-1-OL

Created:	2005-05-17
Last modified:	2011-06-04

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3 entries where DE1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

2D diagram of DE1

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Chemical Component Summary
Name	DECAN-1-OL
Systematic Name (OpenEye OEToolkits)	decan-1-ol
Formula	C₁₀ H₂₂ O
Molecular Weight	158.281
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCO
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCO
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCO
InChI	InChI	1.03	InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKey	InChI	1.03	MWKFXSUHUHTGQN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8174
ChEMBL	CHEMBL25363
ChEBI	CHEBI:28903
CCDC/CSD	WELDOK, WELDOK01

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.