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MIG : Summary
Code
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MIG
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One-letter code
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X
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Molecule name
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(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
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Synonyms
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Miglitol
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Systematic names
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Formula
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C8 H17 N O5
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Formal charge
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0
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Molecular weight
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207.224 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.352 |
OCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO |
SMILES
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OpenEye OEToolkits |
1.7.0 |
C1C(C(C(C(N1CCO)CO)O)O)O |
Canonical SMILES
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CACTVS |
3.352 |
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O |
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IUPAC InChI | InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1 |
IUPAC InChI key | IBAQFPQHRJAVAV-ULAWRXDQSA-N |
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wwPDB Information |
Atom count
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31 (14 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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2010-01-14
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Last modified at
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2021-03-01
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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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