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- ChemComp-KGE: (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: KGE
NameName: (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol

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Chemical information

Composition
Formula: C6H11NO2 / Number of atoms: 20 / Formula weight: 129.157 / Formal charge: 0
Others

6rry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KGE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RRY
History
Create componentMay 21, 2019
Initial releaseJul 8, 2020
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

CACTVS 3.385OC[CH]1NCC=C[CH]1O
OpenEye OEToolkits 2.0.7C1C=CC(C(N1)CO)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@H]1NCC=C[C@H]1O
OpenEye OEToolkits 2.0.7C1C=C[C@H]([C@@H](N1)CO)O

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InChI

InChI 1.03InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6+/m0/s1

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InChIKey

InChI 1.03IIZFBLMFSCOJPJ-NTSWFWBYSA-N

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PDB entries

Showing all 1 items

PDB-6rry:
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-1,2,3,6-tetrahydro-3-pyridinol

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