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PDBeChem: Ligand Dictionary (PDB Ligand Chemistry - chemical component dictionary)

Chemical Components in the PDB

pdbe.org/chem
wwPDB
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SER : Summary

Code

SER

One-letter code

S

Molecule name

SERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-hydroxy-propanoic acid

Formula

C3 H7 N O3

Formal charge

0

Molecular weight

105.093 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1

IUPAC InChI key

MTCFGRXMJLQNBG-REOHCLBHSA-N

Is part of

SWG
SER

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

Not Assigned

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned