PDB Chemical Component DG6

Ideal Model

Chemical Description

Name 2-DEOXY-GLUCITOL-6-PHOSPHATE
Formula C6 H15 O8 P
Formal charge 0
Molecular weight 246.152 g/mol
Component type NON-POLYMER

Chemical features

Atom count 30
Chiral atom count 3
Chiral atoms C3 C4 C5
Bond count 29
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 2-deoxy-6-O-phosphono-D-arabino-hexitol
Systematic name (OpenEye OEToolkits) [(3S,4R)-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate

Chemical Descriptors

Stereo SMILES (CACTVS) OCC[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
SMILES (CACTVS) OCC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
Stereo SMILES (OpenEye) C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O
InChI descriptor InChI=1/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6+/m1/s1/f/h11-12H
InChIKey descriptor KLPBNGZTTQNYHR-AFYKYFPYDV

Status Information

Last modified 2008-10-14
Created 2001-07-19
Release status REL
Model PDB code 1JKI
Processing site RCSB