Chemical Components in the PDB

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SEN : Summary

Code

SEN

One-letter code

S

Molecule name

O-[N,N-dimethylphosphoramidate]-L-serine

Systematic names

ProgramVersionName
ACDLabs 10.04 O-[(S)-(dimethylamino)(hydroxy)phosphoryl]-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(dimethylamino-hydroxy-phosphoryl)oxy-propanoic acid

Formula

C5 H13 N2 O5 P

Formal charge

0

Molecular weight

212.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(OCC(N)C(=O)O)N(C)C
SMILES CACTVS 3.341 CN(C)[P](O)(=O)OC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CN(C)P(=O)(O)OCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CN(C)[P@@](O)(=O)OC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/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

IUPAC InChI key

HTPIRKVMFNYAHI-BYPYZUCNSA-N
SEN

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2008-06-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned