Chemical Components in the PDB

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BBX : Summary

Code

BBX

One-letter code

X

Molecule name

1-BROMOETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 bromoethane
OpenEye OEToolkits 1.5.0 bromoethane

Formula

C2 H5 Br

Formal charge

0

Molecular weight

108.965 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 BrCC
SMILES CACTVS 3.341 CCBr
SMILES OpenEye OEToolkits 1.5.0 CCBr
Canonical SMILES CACTVS 3.341 CCBr
Canonical SMILES OpenEye OEToolkits 1.5.0 CCBr

IUPAC InChI

InChI=1S/C2H5Br/c1-2-3/h2H2,1H3

IUPAC InChI key

RDHPKYGYEGBMSE-UHFFFAOYSA-N
BBX

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

2004-11-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned