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- ChemComp-6YY: bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphory... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6YY
NameName: bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate

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Chemical information

Composition
Formula: H13O34P11 / Number of atoms: 58 / Formula weight: 897.794 / Formal charge: 0
Others

5llf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6YY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LLF
History
Create componentJul 27, 2016
Initial releaseOct 11, 2017
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 3.385O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.5OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.5OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/H13O34P11/c1-35(2,3)25-37(7,8)27-39(11,12)29-41(15,16)31-43(19,20)33-45(23,24)34-44(21,22)32-42(17,18)30-40(13,14)28-38(9,10)26-36(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H2,1,2,3)(H2,4,5,6)

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InChIKey

InChI 1.03BWFYHHXRACTZIV-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.5bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate

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PDB entries

Showing all 3 items

PDB-5llf:
Structure of Polyphosphate Kinase 2 mutant D117N from Francisella tularensis with polyphosphate

PDB-9igq:
Crystal structure of PPK2 class III from Erysipelotrichaceae bacterium in complex with AppCH2p and polyphosphate

PDB-9igr:
Crystal structure of PPK2 class III from Erysipelotrichaceae bacterium in complex with polyphosphate

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