PDB Chemical Component THO

Ideal Model

Chemical Description

Name REDUCED THREONINE
Formula C4 H11 N O2
Formal charge 0
Molecular weight 105.136 g/mol
Component type L-PEPTIDE LINKING

Chemical features

Atom count 18
Chiral atom count 2
Chiral atoms CA CB
Observed leaving atoms H2
Bond count 17
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (2R,3R)-2-aminobutane-1,3-diol
Systematic name (OpenEye OEToolkits) (2R,3R)-2-aminobutane-1,3-diol

Chemical Descriptors

Stereo SMILES (CACTVS) C[C@@H](O)[C@H](N)CO
SMILES (CACTVS) C[CH](O)[CH](N)CO
Stereo SMILES (OpenEye) C[C@H]([C@@H](CO)N)O
InChI descriptor InChI=1/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
InChIKey descriptor MUVQIIBPDFTEKM-QWWZWVQMBS

Status Information

Last modified 2009-01-07
Created 1999-07-08
Release status REL
Model PDB code 2SOC
Processing site EBI