Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

2PR : Summary

Code

2PR

One-letter code

G

Molecule name

2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
OpenEye OEToolkits 1.5.0 [(2R,3S,5R)-5-(2-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H14 N5 O6 P

Formal charge

0

Molecular weight

331.222 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O
SMILES CACTVS 3.341 Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1
SMILES OpenEye OEToolkits 1.5.0 c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.341 Nc1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1

IUPAC InChI key

XLBUIHNMZIQVTK-XLPZGREQSA-N
2PR

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DG

Defined at

2000-07-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned