Chemical Components in the PDB

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DSE : Summary

Code

DSE

One-letter code

S

Molecule name

N-METHYL-D-SERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-methyl-D-serine
OpenEye OEToolkits 1.5.0 (2R)-3-hydroxy-2-methylamino-propanoic acid

Formula

C4 H9 N O3

Formal charge

0

Molecular weight

119.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(NC)CO
SMILES CACTVS 3.341 CN[CH](CO)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CNC(CO)C(=O)O
Canonical SMILES CACTVS 3.341 CN[C@H](CO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN[C@H](CO)C(=O)O

IUPAC InChI

InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m1/s1

IUPAC InChI key

PSFABYLDRXJYID-GSVOUGTGSA-N
DSE

wwPDB Information

Atom count

17 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned