PDB Chemical Component MNM

Ideal Model

Chemical Description

Name (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE
Formula C6 H13 N O4
Formal charge 0
Molecular weight 163.172 g/mol
Component type NON-POLYMER

Chemical features

Atom count 24
Chiral atom count 4
Chiral atoms C1 C2 C3 C8
Bond count 24
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
Systematic name (OpenEye OEToolkits) (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol

Chemical Descriptors

Stereo SMILES (CACTVS) OC[C@H]1CN[C@@H](O)[C@@H](O)[C@@H]1O
SMILES (CACTVS) OC[CH]1CN[CH](O)[CH](O)[CH]1O
Stereo SMILES (OpenEye) C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO
InChI descriptor InChI=1/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKey descriptor BHOYFRIRWXBNHP-ZXXMMSQZBS

Status Information

Last modified 2008-10-14
Created 2005-08-31
Release status REL
Replaces NOZ
Model PDB code 2ALW
Processing site RCSB