Chemical Components in the PDB

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MZR : Summary

Code

MZR

One-letter code

X

Molecule name

5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide

Systematic names

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

Formula

C9 H13 N3 O6

Formal charge

0

Molecular weight

259.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N
SMILES CACTVS 3.370 NC(=O)c1ncn([CH]2O[CH](CO)[CH](O)[CH]2O)c1O
SMILES OpenEye OEToolkits 1.7.2 c1nc(c(n1C2C(C(C(O2)CO)O)O)O)C(=O)N
Canonical SMILES CACTVS 3.370 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
Canonical SMILES OpenEye OEToolkits 1.7.2 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N

IUPAC InChI

InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1

IUPAC InChI key

HZQDCMWJEBCWBR-UUOKFMHZSA-N
MZR

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

2011-07-12

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned