Chemical Components in the PDB

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PYE : Summary

Code

PYE

One-letter code

X

Molecule name

TETRAHYDROPYRAN

Systematic names

ProgramVersionName
ACDLabs 10.04 tetrahydro-2H-pyran
OpenEye OEToolkits 1.5.0 oxane

Formula

C5 H10 O

Formal charge

0

Molecular weight

86.132 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2

IUPAC InChI key

DHXVGJBLRPWPCS-UHFFFAOYSA-N
PYE

wwPDB Information

Atom count

16 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-02-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned