Chemical Components in the PDB

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ETZ : Summary

Code

ETZ

One-letter code

X

Molecule name

diethyl ether

Systematic names

ProgramVersionName
ACDLabs 12.01 diethyl ether
OpenEye OEToolkits 1.7.6 ethoxyethane

Formula

C4 H10 O

Formal charge

0

Molecular weight

74.122 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 ethoxyethane
SMILES CACTVS 3.370 CCOCC
SMILES OpenEye OEToolkits 1.7.6 CCOCC
Canonical SMILES CACTVS 3.370 CCOCC
Canonical SMILES OpenEye OEToolkits 1.7.6 CCOCC

IUPAC InChI

InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3

IUPAC InChI key

RTZKZFJDLAIYFH-UHFFFAOYSA-N
ETZ

wwPDB Information

Atom count

15 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-14

Last modified at

2013-09-27

Status

Released

Obsoleted

Not Assigned