PDB Chemical Component SEN

Ideal Model

Chemical Description

Name O-[N,N-dimethylphosphoramidate]-L-serine
Formula C5 H13 N2 O5 P
Formal charge 0
Molecular weight 212.141 g/mol
Component type L-peptide linking
Nonstandard Parent Id SER

Chemical features

Atom count 26
Chiral atom count 2
Chiral atoms CA P
Observed leaving atoms OXT HN2 HXT
Bond count 25
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) O-[(S)-(dimethylamino)(hydroxy)phosphoryl]-L-serine
Systematic name (OpenEye OEToolkits) (2S)-2-amino-3-(dimethylamino-hydroxy-phosphoryl)oxy-propanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) CN(C)[P@@](O)(=O)OC[C@H](N)C(O)=O
SMILES (CACTVS) CN(C)[P](O)(=O)OC[CH](N)C(O)=O
Stereo SMILES (OpenEye) CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N
InChI descriptor InChI=1/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1/f/h8,10H
InChIKey descriptor HTPIRKVMFNYAHI-ZEACDCQADU

Status Information

Last modified 2009-01-07
Created 2008-06-27
Release status REL
Model PDB code 3DKK
Processing site RCSB