Chemical Components in the PDB

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PSW : Summary

Code

PSW

One-letter code

U

Molecule name

3-(SULFANYLSELANYL)-L-ALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(sulfanylselanyl)-L-alanine
OpenEye OEToolkits 1.6.1 (2R)-2-amino-3-sulfanylselanyl-propanoic acid

Formula

C3 H7 N O2 S Se

Formal charge

0

Molecular weight

200.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)C[Se]S
SMILES CACTVS 3.352 N[CH](C[Se]S)C(O)=O
SMILES OpenEye OEToolkits 1.6.1 C(C(C(=O)O)N)[Se]S
Canonical SMILES CACTVS 3.352 N[C@@H](C[Se]S)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C([C@@H](C(=O)O)N)[Se]S

IUPAC InChI

InChI=1S/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

IUPAC InChI key

SPXWFQKISDCWEH-REOHCLBHSA-N
PSW

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SEC

Defined at

2009-08-07

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned