Chemical Components in the PDB

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PRH : Summary

Code

PRH

One-letter code

X

Molecule name

6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (6S)-6-hydroxy-9-beta-D-ribofuranosyl-6,9-dihydro-1H-purin-7-ium
OpenEye OEToolkits 1.5.0 (2R,3R,4S,5R)-2-[(6S)-6-hydroxy-1,6-dihydropurin-7-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Formula

C10 H15 N4 O5

Formal charge

1

Molecular weight

271.25 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO
SMILES CACTVS 3.341 OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3[CH](O)NC=Nc23
SMILES OpenEye OEToolkits 1.5.0 c1[nH+]c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]c3[C@H](O)NC=Nc23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O

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/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1

IUPAC InChI key

WGRXVKRHIMUTPD-YOHZANMFSA-O
PRH

wwPDB Information

Atom count

34 (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