Chemical Components in the PDB

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5JP : Summary

Code

5JP

One-letter code

S

Molecule name

N-methyl-L-serine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methyl-L-serine
OpenEye OEToolkits 1.9.2 (2S)-2-(methylamino)-3-oxidanyl-propanoic acid

Formula

C4 H9 N O3

Formal charge

0

Molecular weight

119.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(CO)NC
SMILES CACTVS 3.385 CN[CH](CO)C(O)=O
SMILES OpenEye OEToolkits 1.9.2 CNC(CO)C(=O)O
Canonical SMILES CACTVS 3.385 CN[C@@H](CO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 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-/m0/s1

IUPAC InChI key

PSFABYLDRXJYID-VKHMYHEASA-N
5JP

wwPDB Information

Atom count

17 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

Yes

Standard parent

SER

Defined at

2015-10-02

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned