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- ChemComp-CU0: [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphon... -

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Basic information

EntryDatabase: PDB chemical components / ID: CU0
NameName: [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

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Chemical information

Composition
Formula: C5H12O10P2 / Number of atoms: 29 / Formula weight: 294.09 / Formal charge: 0
Others

6k0r

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CU0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6K0R
History
Create componentMay 15, 2019
Initial releaseMay 6, 2020
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[CH]1CO[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@H]1CO[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@H]1O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C5H12O10P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4+,5-/m0/s1

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InChIKey

InChI 1.03HNPYBPXXPMVWIY-LMVFSUKVSA-N

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PDB entries

Showing all 1 items

PDB-6k0r:
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin

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