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- ChemComp-JXZ: 2-(6-azanyl-8-methyl-purin-9-yl)ethanol -

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Basic information

EntryDatabase: PDB chemical components / ID: JXZ
NameName: 2-(6-azanyl-8-methyl-purin-9-yl)ethanol

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Chemical information

Composition
Formula: C8H11N5O / Number of atoms: 25 / Formula weight: 193.206 / Formal charge: 0
Others

6rc4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JXZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RC4
History
Create componentApr 11, 2019
Initial releaseFeb 19, 2020
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Cc1nc2c(N)ncnc2n1CCO
OpenEye OEToolkits 2.0.7Cc1nc2c(ncnc2n1CCO)N

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SMILES CANONICAL

CACTVS 3.385Cc1nc2c(N)ncnc2n1CCO
OpenEye OEToolkits 2.0.7Cc1nc2c(ncnc2n1CCO)N

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InChI

InChI 1.03InChI=1S/C8H11N5O/c1-5-12-6-7(9)10-4-11-8(6)13(5)2-3-14/h4,14H,2-3H2,1H3,(H2,9,10,11)

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InChIKey

InChI 1.03JSYNJZZGNMUJED-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6rc4:
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative

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