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NHF : Summary
Code
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NHF
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One-letter code
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X
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Molecule name
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1,5-anhydro-D-fructose
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Systematic names
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Formula
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C6 H10 O5
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Formal charge
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0
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Molecular weight
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162.141 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1COC(CO)C(O)C1O |
SMILES
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CACTVS |
3.341 |
OC[CH]1OCC(=O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(=O)C(C(C(O1)CO)O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC[C@H]1OCC(=O)[C@@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O |
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IUPAC InChI | InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1 |
IUPAC InChI key | OCLOLUFOLJIQDC-HSUXUTPPSA-N |
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wwPDB Information |
Atom count
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21 (11 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide
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Type code
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ATOMS
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2009-01-20
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Last modified at
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2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
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