Chemical Components in the PDB

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1Y8 : Summary

Code

1Y8

One-letter code

X

Molecule name

2-(trimethyl-lambda~5~-arsanyl)ethanol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(trimethyl-lambda~5~-arsanyl)ethanol
OpenEye OEToolkits 1.7.6 2-hydroxyethyl(trimethyl)arsenic

Formula

C5 H14 As O

Formal charge

0

Molecular weight

165.086 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCC[As](C)(C)C
SMILES CACTVS 3.385 C[As](C)(C)CCO
SMILES OpenEye OEToolkits 1.7.6 C[As](C)(C)CCO
Canonical SMILES CACTVS 3.385 C[As](C)(C)CCO
Canonical SMILES OpenEye OEToolkits 1.7.6 C[As](C)(C)CCO

IUPAC InChI

InChI=1S/C5H15AsO/c1-6(2,3)4-5-7/h6-7H,4-5H2,1-3H3

IUPAC InChI key

CIHXLIBMYUSRLN-UHFFFAOYSA-N
1Y8

wwPDB Information

Atom count

21 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-07-31

Last modified at

2014-05-02

Status

Released

Obsoleted

Not Assigned