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- ChemComp-KIF: KIFUNENSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: KIF
NameName: kifunensine

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Chemical information

Composition
Formula: C8H12N2O6 / Number of atoms: 28 / Formula weight: 232.191 / Formal charge: 0
Others

1fo3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KIF / Model coordinates PDB-ID: 1FO3
History
Create componentOct 11, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1C(=O)NC2N1C(C(O)C(O)C2O)CO
CACTVS 3.341OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2NC(=O)C(=O)N12
OpenEye OEToolkits 1.5.0C(C1C(C(C(C2N1C(=O)C(=O)N2)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2NC(=O)C(=O)N12
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O

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InChI

InChI 1.03InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1

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InChIKey

InChI 1.03OIURYJWYVIAOCW-PQMKYFCFSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)hexahydroimidazo[1,2-a]pyridine-2,3-dione
OpenEye OEToolkits 1.5.0(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,3-dione

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PDB entries

Showing all 5 items

PDB-1fo3:
CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA1,2-MANNOSIDASE IN COMPLEX WITH KIFUNENSINE

PDB-1krf:
STRUCTURE OF P. CITRINUM ALPHA 1,2-MANNOSIDASE REVEALS THE BASIS FOR DIFFERENCES IN SPECIFICITY OF THE ER AND GOLGI CLASS I ENZYMES

PDB-1ps3:
Golgi alpha-mannosidase II in complex with kifunensine

PDB-2wvz:
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482

PDB-5ne5:
Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine

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