Chemical Components in the PDB

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CB0 : Summary

Code

CB0

One-letter code

X

Molecule name

CIS-DIBROMOETHENE

Systematic names

ProgramVersionName
ACDLabs 12.01 1,2-dibromoethene
OpenEye OEToolkits 1.7.6 (Z)-1,2-bis(bromanyl)ethene

Formula

C2 H2 Br2

Formal charge

0

Molecular weight

185.845 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Br[C@H]=[C@H]Br
SMILES CACTVS 3.385 BrC=CBr
SMILES OpenEye OEToolkits 1.7.6 C(=CBr)Br
Canonical SMILES CACTVS 3.385 Br\C=C/Br
Canonical SMILES OpenEye OEToolkits 1.7.6 C(=C\Br)\Br

IUPAC InChI

InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-

IUPAC InChI key

UWTUEMKLYAGTNQ-UPHRSURJSA-N
CB0

wwPDB Information

Atom count

6 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-06-25

Last modified at

2014-10-10

Status

Released

Obsoleted

Not Assigned