PDB Chemical Component 5CG

Ideal Model

Chemical Description

Name 5'-CHLORO-5'-DEOXY-GUANOSINE
Formula C10 H12 Cl N5 O4
Formal charge 0
Molecular weight 301.686 g/mol
Component type DNA LINKING
Nonstandard Parent Id DG

Chemical features

Atom count 32
Chiral atom count 4
Chiral atoms C4' C3' C2' C1'
Observed leaving atoms HO3'
Bond count 34
Aromatic bond count 5

Chemical Identifiers

Systematic name (ACDLabs) 5'-chloro-5'-deoxyguanosine
Systematic name (OpenEye OEToolkits) 2-amino-9-[(2R,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]-1H-purin-6-one

Chemical Descriptors

Stereo SMILES (CACTVS) NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O
SMILES (CACTVS) NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CCl)[CH](O)[CH]3O
Stereo SMILES (OpenEye) c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N
InChI descriptor InChI=1/C10H12ClN5O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,5-,6-,9-/m1/s1/f/h15H,12H2
InChIKey descriptor YBIZLKQGKRXLAZ-WPDDIMQFDH

Status Information

Last modified 2009-01-07
Created 2002-07-25
Release status REL
Model PDB code 1M5P
Processing site RCSB