Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

MBR : Summary

Code

MBR

One-letter code

X

Molecule name

TRIBROMOMETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 tribromomethane
OpenEye OEToolkits 1.5.0 tribromomethane

Formula

C H Br3

Formal charge

0

Molecular weight

252.731 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 BrC(Br)Br
SMILES CACTVS 3.341 BrC(Br)Br
SMILES OpenEye OEToolkits 1.5.0 C(Br)(Br)Br
Canonical SMILES CACTVS 3.341 BrC(Br)Br
Canonical SMILES OpenEye OEToolkits 1.5.0 C(Br)(Br)Br

IUPAC InChI

InChI=1S/CHBr3/c2-1(3)4/h1H

IUPAC InChI key

DIKBFYAXUHHXCS-UHFFFAOYSA-N
MBR

wwPDB Information

Atom count

5 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2014-09-12

Status

Released

Obsoleted

Not Assigned