Chemical Components in the PDB

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ETI : Summary

Code

ETI

One-letter code

X

Molecule name

IODOETHANE

Systematic names

ProgramVersionName
ACDLabs 11.02 iodoethane
OpenEye OEToolkits 1.6.1 iodoethane

Formula

C2 H5 I

Formal charge

0

Molecular weight

155.966 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 ICC
SMILES CACTVS 3.352 CCI
SMILES OpenEye OEToolkits 1.7.0 CCI
Canonical SMILES CACTVS 3.352 CCI
Canonical SMILES OpenEye OEToolkits 1.7.0 CCI

IUPAC InChI

InChI=1S/C2H5I/c1-2-3/h2H2,1H3

IUPAC InChI key

HVTICUPFWKNHNG-UHFFFAOYSA-N
ETI

wwPDB Information

Atom count

8 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-10-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned