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- ChemComp-YA4: [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfany... -

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Basic information

EntryDatabase: PDB chemical components / ID: YA4
NameName: [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

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Chemical information

Composition
Formula: C5H11O6PS / Number of atoms: 24 / Formula weight: 230.176 / Formal charge: 0
Others

7lpj

Type: RNA linking / PDB classification: ATOMN / Three letter code: YA4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7LPJ
History
Create componentFeb 12, 2021
Initial releaseAug 4, 2021
External linksUniChem / ChemSpider / PubChem / 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)(S)=O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(O1)COP(=O)(O)S)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1

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InChIKey

InChI 1.03HBCHIJUQXWEATM-LMVFSUKVSA-N

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PDB entries

Showing all 1 items

PDB-8w6p:
Crystal structure of dimeric murine SMPDL3A

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