Chemical Components in the PDB

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6GU : Summary

Code

6GU

One-letter code

X

Molecule name

6-chloroguanine

Synonyms

6-chloro-9H-purin-2-amine

Systematic names

ProgramVersionName
ACDLabs 10.04 6-chloro-9H-purin-2-amine
OpenEye OEToolkits 1.5.0 6-chloro-9H-purin-2-amine

Formula

C5 H4 Cl N5

Formal charge

0

Molecular weight

169.572 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2nc(nc1c2ncn1)N
SMILES CACTVS 3.341 Nc1nc(Cl)c2nc[nH]c2n1
SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(nc(n2)N)Cl
Canonical SMILES CACTVS 3.341 Nc1nc(Cl)c2nc[nH]c2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(nc(n2)N)Cl

IUPAC InChI

InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)

IUPAC InChI key

RYYIULNRIVUMTQ-UHFFFAOYSA-N
6GU

wwPDB Information

Atom count

15 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-08-26

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned