Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

NRN : Summary

Code

NRN

One-letter code

X

Molecule name

(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.9.2 (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol

Formula

C10 H13 N5 O3

Formal charge

0

Molecular weight

251.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 1.9.2 c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)O)N
Canonical SMILES CACTVS 3.385 Nc1ncnc2n(cnc12)[C@@H]3C[C@H](O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 1.9.2 c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N

IUPAC InChI

InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1

IUPAC InChI key

VFKHECGAEJNAMV-HETMPLHPSA-N
NRN

wwPDB Information

Atom count

31 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-07-31

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned