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- ChemComp-XDL: XYLOSE-DERIVED ISOFAGOMINE LACTAM -

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Basic information

EntryDatabase: PDB chemical components / ID: XDL
NameName: xylose-derived isofagomine lactam / Synonyms: (3S)-3-HYDROXYPIPERIDIN-2-ONE

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Chemical information

Composition
Formula: C5H9NO2 / Number of atoms: 17 / Formula weight: 115.13 / Formal charge: 0
Others

1od8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: XDL / Model coordinates PDB-ID: 1OD8
History
Create componentFeb 14, 2003
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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=C1NCCCC1O
CACTVS 3.341O[CH]1CCCNC1=O
OpenEye OEToolkits 1.5.0C1CC(C(=O)NC1)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1CCCNC1=O
OpenEye OEToolkits 1.5.0C1C[C@@H](C(=O)NC1)O

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InChI

InChI 1.03InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1

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InChIKey

InChI 1.03RYKLZUPYJFFNRR-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3S)-3-hydroxypiperidin-2-one
OpenEye OEToolkits 1.5.0(3S)-3-hydroxypiperidin-2-one

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PDB entries

Showing all 1 items

PDB-1od8:
Xylanase Xyn10A from Streptomyces lividans in complex with xylobio-isofagomine lactam

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