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- ChemComp-H93: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxol... -

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Basic information

EntryDatabase: PDB chemical components / ID: H93
NameName: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one

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Chemical information

Composition
Formula: C11H15N5O5 / Number of atoms: 36 / Formula weight: 297.267 / Formal charge: 0
Others

7dlc

Type: non-polymer / PDB classification: HETAIN / Three letter code: H93 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7DLC
History
Create componentNov 30, 2020
Initial releaseFeb 2, 2022
External linksUniChem / ChemSpider / 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 3.385CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO)[CH](O)[CH]3O)N
OpenEye OEToolkits 2.0.7CN1C(=O)c2c(n(cn2)C3C(C(C(O3)CO)O)O)N=C1N

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SMILES CANONICAL

CACTVS 3.385CN1C(=Nc2n(cnc2C1=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)N
OpenEye OEToolkits 2.0.7CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N

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InChI

InChI 1.03InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1

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InChIKey

InChI 1.03UTAIYTHAJQNQDW-KQYNXXCUSA-N

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PDB entries

Showing all 1 items

PDB-7dlc:
The structure of the Arabidopsis thaliana guanosine deaminase in reaction with N1-methylguanosine

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