PYE

TETRAHYDROPYRAN

Created:	2002-02-07
Last modified:	2011-06-04

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2 entries where PYE is found as a standalone ligand1 entries where PYE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of PYE

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Chemical Component Summary
Name	TETRAHYDROPYRAN
Systematic Name (OpenEye OEToolkits)	oxane
Formula	C₅ H₁₀ O
Molecular Weight	86.132
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O1CCCCC1
SMILES	CACTVS	3.341	C1CCOCC1
SMILES	OpenEye OEToolkits	1.5.0	C1CCOCC1
Canonical SMILES	CACTVS	3.341	C1CCOCC1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CCOCC1
InChI	InChI	1.03	InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
InChIKey	InChI	1.03	DHXVGJBLRPWPCS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02412
Name	Tetrahydropyran
Groups	experimental
Synonyms	Tetrahydropyran
CAS number	142-68-7

Related Resource References

Resource Name	Reference
PubChem	8894
ChEBI	CHEBI:46941
CCDC/CSD	UBIXIO, BOKDAJ, YUVMOT

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.