Chemical Components in the PDB

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TBR : Summary

Code

TBR

One-letter code

X

Molecule name

HEXATANTALUM DODECABROMIDE

Synonyms

DODECABROMOHEXATANTALUM

Systematic names

Not Assigned

Formula

Br12 Ta6

Formal charge

0

Molecular weight

2044.535 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10
SMILES OpenEye OEToolkits 1.7.0 Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6
Canonical SMILES CACTVS 3.370 Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10
Canonical SMILES OpenEye OEToolkits 1.7.0 Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6

IUPAC InChI

InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1

IUPAC InChI key

YWYIQTPPCOBSGN-UHFFFAOYSA-M
TBR

wwPDB Information

Atom count

18 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-11-12

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned