Chemical Components in the PDB

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SEC : Summary

Code

SEC

One-letter code

U

Molecule name

SELENOCYSTEINE

Systematic names

ProgramVersionName
ACDLabs 12.01 3-selanyl-L-alanine
OpenEye OEToolkits 1.7.6 (2R)-2-azanyl-3-selanyl-propanoic acid

Formula

C3 H7 N O2 Se

Formal charge

0

Molecular weight

168.053 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C[SeH]
SMILES CACTVS 3.370 N[CH](C[SeH])C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)N)[SeH]
Canonical SMILES CACTVS 3.370 N[C@@H](C[SeH])C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H](C(=O)O)N)[SeH]

IUPAC InChI

InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

IUPAC InChI key

ZKZBPNGNEQAJSX-REOHCLBHSA-N
SEC

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

PYL

Defined at

1999-07-08

Last modified at

2014-07-17

Status

Released

Obsoleted

Not Assigned