Chemical Components in the PDB

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HPR : Summary

Code

HPR

One-letter code

X

Molecule name

6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 9-beta-D-ribofuranosyl-8,9-dihydro-7H-purin-6-ol
OpenEye OEToolkits 1.5.0 (2R,3R,4S,5R)-2-(6-hydroxy-7,8-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Formula

C10 H14 N4 O5

Formal charge

0

Molecular weight

270.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc3ncnc1c3NCN1C2OC(C(O)C2O)CO
SMILES CACTVS 3.341 OC[CH]1O[CH]([CH](O)[CH]1O)N2CNc3c(O)ncnc23
SMILES OpenEye OEToolkits 1.5.0 c1nc2c(c(n1)O)NCN2C3C(C(C(O3)CO)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CNc3c(O)ncnc23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

IUPAC InChI

InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

ZWTNXGIZBOQCAJ-KQYNXXCUSA-N
HPR

wwPDB Information

Atom count

33 (19 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