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- ChemComp-SRC: [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-di... -

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Basic information

EntryDatabase: PDB chemical components / ID: SRC
NameName: [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

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Chemical information

Composition
Formula: C11H20N5O14P3 / Number of atoms: 53 / Formula weight: 539.223 / Formal charge: 0
Others

8c0g

Type: non-polymer / PDB classification: HETAIN / Three letter code: SRC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8C0G
History
Create componentDec 19, 2022
Initial releaseDec 27, 2023
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 3.385CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 2.0.7CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.385CN1CN([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@@H]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 2.0.7CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3C([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

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InChI

InChI 1.06InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10-/m1/s1

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InChIKey

InChI 1.06BUJQMJUTTBGELS-UHTZMRCNSA-N

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PDB entries

Showing all 1 items

PDB-8c0g:
SARS-CoV nsp16-nsp10 complexed with N7-GTP

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