PDB Chemical Component LZ0

Ideal Model

Chemical Description

Name [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside
Formula C11 H17 N3 O6
Formal charge 0
Molecular weight 287.269 g/mol
Component type non-polymer

Chemical features

Atom count 37
Chiral atom count 5
Chiral atoms C1 C2 C3 C4 C5
Bond count 38
Aromatic bond count 5

Chemical Identifiers

Systematic name (ACDLabs) [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside
Systematic name (OpenEye OEToolkits) 2-[5-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethanal

Chemical Descriptors

Stereo SMILES (CACTVS) C[C@@H]1O[C@@H](OCc2cnnn2CC=O)[C@@H](O)[C@H](O)[C@@H]1O
SMILES (CACTVS) C[CH]1O[CH](OCc2cnnn2CC=O)[CH](O)[CH](O)[CH]1O
Stereo SMILES (OpenEye) C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O
InChI descriptor InChI=1/C11H17N3O6/c1-6-8(16)9(17)10(18)11(20-6)19-5-7-4-12-13-14(7)2-3-15/h3-4,6,8-11,16-18H,2,5H2,1H3/t6-,8+,9+,10-,11+/m0/s1
InChIKey descriptor VXMWUAUJLLGYLQ-GDWDKGMLBF

Status Information

Last modified 2009-07-17
Created 2008-05-22
Release status REL
Model PDB code 2VUD
Processing site EBI