Chemical Components in the PDB

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MSE : Summary

Code

MSE

One-letter code

M

Molecule name

SELENOMETHIONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-4-(methylselanyl)butanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-methylselanyl-butanoic acid

Formula

C5 H11 N O2 Se

Formal charge

0

Molecular weight

196.106 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CC[Se]C
SMILES CACTVS 3.341 C[Se]CC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C[Se]CCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 C[Se]CC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[Se]CC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

IUPAC InChI key

RJFAYQIBOAGBLC-BYPYZUCNSA-N
MSE

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

MET

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned