Chemical Components in the PDB

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OXG : Summary

Code

OXG

One-letter code

X

Molecule name

8-OXOGUANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-1H-purine-6,8-dione
OpenEye OEToolkits 1.5.0 2-amino-1H-purine-6,8-dione

Formula

C5 H3 N5 O2

Formal charge

0

Molecular weight

165.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C2=NC(=O)N=C2N=C(N1)N
SMILES CACTVS 3.341 NC1=NC2=NC(=O)N=C2C(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C12=NC(=O)N=C1N=C(NC2=O)N
Canonical SMILES CACTVS 3.341 NC1=NC2=NC(=O)N=C2C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C12=NC(=O)N=C1N=C(NC2=O)N

IUPAC InChI

InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)

IUPAC InChI key

UBKVUFQGVWHZIR-UHFFFAOYSA-N
OXG

wwPDB Information

Atom count

15 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-01-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned