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- ChemComp-P6F: 1,6-di-O-phosphono-D-fructose -

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Basic information

EntryDatabase: PDB chemical components / ID: P6F
NameName: 1,6-di-O-phosphono-D-fructose

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Chemical information

Composition
Formula: C6H14O12P2 / Number of atoms: 34 / Formula weight: 340.116 / Formal charge: 0
Others

3gb6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: P6F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GB6
History
Create componentMar 2, 2009
Modify descriptorJun 4, 2011
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

ACDLabs 10.04O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1

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InChIKey

InChI 1.03XPYBSIWDXQFNMH-UYFOZJQFSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,6-di-O-phosphono-D-fructose
OpenEye OEToolkits 1.5.0[(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxy-hexyl] dihydrogen phosphate

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