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- ChemComp-48Z: 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: 48Z
NameName: 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose

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Chemical information

Composition
Formula: C5H10FO6PS / Number of atoms: 24 / Formula weight: 248.166 / Formal charge: 0
Others

3rom

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: 48Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ROM
History
Create componentMay 11, 2011
Modify descriptorJun 4, 2011
Other modificationJan 8, 2013
Modify synonymsMar 3, 2021
Modify leaving atom flagMar 3, 2021
Modify linking typeMar 3, 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

ACDLabs 12.01FC1C(O)C(OC1O)COP(=O)(O)S
CACTVS 3.370O[CH]1O[CH](CO[P](O)(S)=O)[CH](O)[CH]1F
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)O)F)O)OP(=O)(O)S

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SMILES CANONICAL

CACTVS 3.370O[C@H]1O[C@H](CO[P](O)(S)=O)[C@@H](O)[C@@H]1F
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S

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InChI

InChI 1.03InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1

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InChIKey

InChI 1.03ACXIGHNBDAUOFX-LECHCGJUSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
OpenEye OEToolkits 1.7.6[(2R,3R,4S,5S)-4-fluoranyl-3,5-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

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PDB entries

Showing all 1 items

PDB-3rom:
Crystal structure of human CD38 in complex with compound CZ-48

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