Chemical Components in the PDB

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GNG : Summary

Code

GNG

One-letter code

G

Molecule name

2'-DEOXY-GUANOSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2'-deoxyguanosine
OpenEye OEToolkits 1.5.0 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Formula

C10 H13 N5 O4

Formal charge

0

Molecular weight

267.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C3N=C(N)Nc1c3ncn1C2OC(C(O)C2)CO
SMILES CACTVS 3.341 NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO)O3)c2N1
SMILES OpenEye OEToolkits 1.5.0 c1nc2c(n1C3CC(C(O3)CO)O)NC(=NC2=O)N
Canonical SMILES CACTVS 3.341 NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N

IUPAC InChI

InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1

IUPAC InChI key

YKBGVTZYEHREMT-KVQBGUIXSA-N
GNG

wwPDB Information

Atom count

32 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

Yes

Standard parent

G

Defined at

2003-02-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned