Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

MG7 : Summary

Code

MG7

One-letter code

X

Molecule name

7-METHYLGUANOSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 7-methylguanosine
OpenEye OEToolkits 1.5.0 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-purin-7-ium-6-one

Formula

C11 H16 N5 O5

Formal charge

1

Molecular weight

298.275 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO)C
SMILES CACTVS 3.341 C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
SMILES OpenEye OEToolkits 1.5.0 C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O
Canonical SMILES CACTVS 3.341 C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
Canonical SMILES OpenEye OEToolkits 1.5.0 C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

IUPAC InChI

InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

OGHAROSJZRTIOK-KQYNXXCUSA-O
MG7

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned