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- ChemComp-0WK: 1,5-anhydro-6-O-phosphono-D-glucitol -

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Basic information

EntryDatabase: PDB chemical components / ID: 0WK
NameName: 1,5-anhydro-6-O-phosphono-D-glucitol

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Chemical information

Composition
Formula: C6H13O8P / Number of atoms: 28 / Formula weight: 244.136 / Formal charge: 0
Others

4fpb

Type: D-saccharide / PDB classification: ATOMS / Three letter code: 0WK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4FPB
History
Create componentJul 24, 2012
Initial releaseJul 3, 2013
Other modificationJul 3, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01O=P(O)(O)OCC1OCC(O)C(O)C1O
CACTVS 3.370O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1C(C(C(C(O1)COP(=O)(O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.370O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1

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InChIKey

InChI 1.03KAJAXXUCVJFKFM-SLPGGIOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,5-anhydro-6-O-phosphono-D-glucitol
OpenEye OEToolkits 1.7.6[(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0D-1-deoxy-Glcp6PO3

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PDB entries

Showing all 3 items

PDB-4fpb:
Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate

PDB-4zfm:
Structure of Gan1D-E170Q in complex with cellobiose-6-phosphate

PDB-8id7:
Crystal structure of YbiW in complex with 1,5-anhydroglucitol-6-phosphate in Escherichia coli

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