Chemical Components in the PDB

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6GO : Summary

Code

6GO

One-letter code

X

Molecule name

6-O-methylguanine

Synonyms

6-methoxy-7H-purin-2-amine

Systematic names

ProgramVersionName
ACDLabs 10.04 6-methoxy-7H-purin-2-amine
OpenEye OEToolkits 1.5.0 6-methoxy-7H-purin-2-amine

Formula

C6 H7 N5 O

Formal charge

0

Molecular weight

165.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(OC)c2c(nc1N)ncn2
SMILES CACTVS 3.341 COc1nc(N)nc2nc[nH]c12
SMILES OpenEye OEToolkits 1.5.0 COc1c2c(nc[nH]2)nc(n1)N
Canonical SMILES CACTVS 3.341 COc1nc(N)nc2nc[nH]c12
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1c2c(nc[nH]2)nc(n1)N

IUPAC InChI

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

IUPAC InChI key

BXJHWYVXLGLDMZ-UHFFFAOYSA-N
6GO

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

2008-12-30

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned