PDB Chemical Component PSW

Ideal Model

Chemical Description

Name 3-(SULFANYLSELANYL)-L-ALANINE
Formula C3 H7 N O2 S Se
Formal charge 0
Molecular weight 200.118 g/mol
Component type L-PEPTIDE LINKING
Nonstandard Parent Id CYS

Chemical features

Atom count 15
Chiral atom count 1
Chiral atoms CA
Observed leaving atoms OXT
Bond count 14
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 3-(sulfanylselanyl)-L-alanine
Systematic name (OpenEye OEToolkits) (2R)-2-amino-3-sulfanylselanyl-propanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) N[C@@H](C[Se]S)C(O)=O
SMILES (CACTVS) N[CH](C[Se]S)C(O)=O
Stereo SMILES (OpenEye) C([C@@H](C(=O)O)N)[Se]S
InChI descriptor InChI=1/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H
InChIKey descriptor SPXWFQKISDCWEH-SNQCPAJUDQ

Status Information

Last modified 2010-01-08
Created 2009-08-07
Release status REL
Model PDB code 2WPN
Processing site EBI