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- ChemComp-GZF: [(2R,3R,4S,5S)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidany... -

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Basic information

EntryDatabase: PDB chemical components / ID: GZF
NameName: [(2R,3R,4S,5S)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate

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Chemical information

Composition
Formula: C10H15N5O10P2S / Number of atoms: 43 / Formula weight: 459.266 / Formal charge: 0
Others

7d8q

Type: non-polymer / PDB classification: HETAIN / Three letter code: GZF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7D8Q
History
Create componentOct 12, 2020
Initial releaseMar 17, 2021
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 3.385Nc1nc(O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O)c2n1
OpenEye OEToolkits 2.0.7c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N

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SMILES CANONICAL

CACTVS 3.385Nc1nc(O)c2ncn([C@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=S)[C@H](O)[C@@H]3O)c2n1
OpenEye OEToolkits 2.0.7c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N

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InChI

InChI 1.03InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5+,6+,9+/m1/s1

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InChIKey

InChI 1.03QJXJXBXFIOTYHB-KHLHZJAASA-N

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PDB entries

Showing all 1 items

PDB-7d8q:
The structure of nucleotide phosphatase Sa1684 complex with GDP analogue from Staphylococcus aureus

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