Chemical Components in the PDB

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TTA : Summary

Code

TTA

One-letter code

X

Molecule name

TETRAPHENYL-ARSONIUM

Systematic names

ProgramVersionName
ACDLabs 10.04 tetraphenylarsonium
OpenEye OEToolkits 1.5.0 tetraphenylarsanium

Formula

C24 H20 As

Formal charge

1

Molecular weight

383.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1c(cccc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILES CACTVS 3.341 c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
Canonical SMILES CACTVS 3.341 c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4

IUPAC InChI

InChI=1S/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1

IUPAC InChI key

PJMJFVQKDBRMIP-UHFFFAOYSA-N
TTA

wwPDB Information

Atom count

45 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-01-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned