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FKD : Summary
Code ![](/pdbe/static/images/help.png)
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FKD
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H15 F O9
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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286.208 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO |
SMILES
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CACTVS |
3.370 |
OC[CH](O)[CH](O)[CH]1O[C](O)([CH](F)[CH](O)[CH]1O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C(C(C(C1C(C(C(C(O1)(C(=O)O)O)F)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.370 |
OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)([C@H](F)[C@H](O)[C@H]1O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KOWJBKIDVGQXJZ-QMFVTVPYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (19 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Saccharide
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Type description ![](/pdbe/static/images/help.png)
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L-saccharide, alpha linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMS
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2005-09-13
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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