BBX

1-BROMOETHANE

Created:	2004-11-01
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where BBX is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	8
Chiral Atom Count	0
Bond Count	7
Aromatic Bond Count	0

2D diagram of BBX

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-BROMOETHANE
Systematic Name (OpenEye OEToolkits)	bromoethane
Formula	C₂ H₅ Br
Molecular Weight	108.965
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
InChIKey	InChI	1.03	RDHPKYGYEGBMSE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6332
ChEMBL	CHEMBL156378

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.