Chemical Components in the PDB

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9OX : Summary

Code

9OX

One-letter code

X

Molecule name

1,4-oxazepane

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1,4-oxazepane

Formula

C5 H11 N O

Formal charge

0

Molecular weight

101.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C1CNCCOC1
SMILES OpenEye OEToolkits 2.0.7 C1CNCCOC1
Canonical SMILES CACTVS 3.385 C1CNCCOC1
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CNCCOC1

IUPAC InChI

InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2

IUPAC InChI key

ZNGWEEUXTBNKFR-UHFFFAOYSA-N
9OX

wwPDB Information

Atom count

18 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-11-19

Last modified at

2022-11-25

Status

Released

Obsoleted

Not Assigned