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FW2 : Summary
Code
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FW2
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One-letter code
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X
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Molecule name
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L-2-keto-3deoxy-gluconate
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Systematic names
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Formula
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C6 H10 O6
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Formal charge
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0
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Molecular weight
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178.14 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC[CH](O)[CH](O)CC(=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C(C(C(CO)O)O)C(=O)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H](O)[C@H](O)CC(=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C([C@H]([C@H](CO)O)O)C(=O)C(=O)O |
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IUPAC InChI | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m1/s1 |
IUPAC InChI key | WPAMZTWLKIDIOP-WUJLRWPWSA-N |
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wwPDB Information |
Atom count
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22 (12 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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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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2018-08-01
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Last modified at
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2019-08-09
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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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