Chemical Components in the PDB

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8HG : Summary

Code

8HG

One-letter code

X

Molecule name

2'-DEOXY-8-OXOGUANOSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2'-deoxy-8-oxoguanosine
OpenEye OEToolkits 1.5.0 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione

Formula

C10 H13 N5 O5

Formal charge

0

Molecular weight

283.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)CO
SMILES CACTVS 3.341 NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO)O3)C(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O
Canonical SMILES CACTVS 3.341 NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O

IUPAC InChI

InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1

IUPAC InChI key

HCAJQHYUCKICQH-VPENINKCSA-N
8HG

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-10-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned