PDB Chemical Component GGH

Ideal Model

Chemical Description

Name 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE
Formula C11 H18 N5 O12 P3
Formal charge 0
Molecular weight 505.208 g/mol
Component type NON-POLYMER

Chemical features

Atom count 49
Chiral atom count 5
Chiral atoms P1 P2 C4' C1' C3'
Bond count 51
Aromatic bond count 5

Chemical Identifiers

Systematic name (ACDLabs) 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine
Systematic name (OpenEye OEToolkits) [[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid

Chemical Descriptors

Stereo SMILES (CACTVS) NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)C[P](O)(O)=O)O3
SMILES (CACTVS) NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3
Stereo SMILES (OpenEye) c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N
InChI descriptor InChI=1/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-31(24,25)28-30(22,23)4-29(19,20)21/h3,5-7,17H,1-2,4H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1/f/h15,19-20,22,24H,12H2
InChIKey descriptor QEUKZZGYDFTBEI-PZSNUIPSDW

Status Information

Last modified 2008-10-14
Created 2006-10-26
Release status REL
Model PDB code 2ISP
Processing site RCSB