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SOR : Summary
Code
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SOR
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One-letter code
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X
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Molecule name
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sorbitol
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Synonyms
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D-sorbitol
D-glucitol
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Systematic names
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Formula
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C6 H14 O6
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Formal charge
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0
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Molecular weight
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182.172 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OC(C(O)CO)C(O)C(O)CO |
SMILES
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CACTVS |
3.341 |
OC[CH](O)[CH](O)[CH](O)[CH](O)CO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(C(C(C(CO)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 |
IUPAC InChI key | FBPFZTCFMRRESA-JGWLITMVSA-N |
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wwPDB Information |
Atom count
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26 (12 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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1999-07-08
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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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