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

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Basic information

EntryDatabase: PDB chemical components / ID: MZR
NameName: 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
Synonyms: Mizoribine

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Chemical information

Composition
Formula: C9H13N3O6 / Number of atoms: 31 / Formula weight: 259.216 / Formal charge: 0
Others

3b1n

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MZR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3B1N
History
Create componentJul 12, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
OpenEye OEToolkits 1.7.2c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03HZQDCMWJEBCWBR-UUOKFMHZSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
OpenEye OEToolkits 1.7.21-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-oxidanyl-imidazole-4-carboxamide

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PDB entries

Showing all 1 items

PDB-3b1n:
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with ADP-mizoribine

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