Chemical Components in the PDB

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9MG : Summary

Code

9MG

One-letter code

X

Molecule name

9-METHYLGUANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-9-methyl-9H-purin-6-ol
OpenEye OEToolkits 1.5.0 2-amino-9-methyl-purin-6-ol

Formula

C6 H7 N5 O

Formal charge

0

Molecular weight

165.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1c(ncn1C)c(nc2N)O
SMILES CACTVS 3.341 Cn1cnc2c(O)nc(N)nc12
SMILES OpenEye OEToolkits 1.5.0 Cn1cnc2c1nc(nc2O)N
Canonical SMILES CACTVS 3.341 Cn1cnc2c(O)nc(N)nc12
Canonical SMILES OpenEye OEToolkits 1.5.0 Cn1cnc2c1nc(nc2O)N

IUPAC InChI

InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)

IUPAC InChI key

UUWJNBOCAPUTBK-UHFFFAOYSA-N
9MG

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned