Chemical Components in the PDB

pdbe.org/chem
spacer

RBV : Summary

Code

RBV

One-letter code

X

Molecule name

1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide

Synonyms

Ribavirin

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
OpenEye OEToolkits 1.7.2 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

Formula

C8 H12 N4 O5

Formal charge

0

Molecular weight

244.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N
SMILES CACTVS 3.370 NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILES OpenEye OEToolkits 1.7.2 c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N
Canonical SMILES CACTVS 3.370 NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Canonical SMILES OpenEye OEToolkits 1.7.2 c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

IUPAC InChI

InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1

IUPAC InChI key

IWUCXVSUMQZMFG-AFCXAGJDSA-N
RBV

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-25

Last modified at

2012-05-04

Status

Released

Obsoleted

Not Assigned