Chemical Components in the PDB

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MIG : Summary

Code

MIG

One-letter code

X

Molecule name

(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

Synonyms

Miglitol

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 (1R,2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

Formula

C8 H17 N O5

Formal charge

0

Molecular weight

207.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 OCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
SMILES OpenEye OEToolkits 1.7.0 C1C(C(C(C(N1CCO)CO)O)O)O
Canonical SMILES CACTVS 3.352 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Canonical SMILES OpenEye OEToolkits 1.7.0 C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O

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
MIG

wwPDB Information

Atom count

31 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-01-14

Last modified at

2016-04-12

Status

Released

Obsoleted

Not Assigned