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- ChemComp-KFW: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: KFW
NameName: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol

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Chemical information

Composition
Formula: C6H13NO2 / Number of atoms: 22 / Formula weight: 131.173 / Formal charge: 0
Others

6rrx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KFW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RRX
History
Create componentMay 21, 2019
Initial releaseJul 8, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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

CACTVS 3.385OC[CH]1NCCC[CH]1O
OpenEye OEToolkits 2.0.7C1CC(C(NC1)CO)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@H]1NCCC[C@H]1O
OpenEye OEToolkits 2.0.7C1C[C@H]([C@@H](NC1)CO)O

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InChI

InChI 1.03InChI=1S/C6H13NO2/c8-4-5-6(9)2-1-3-7-5/h5-9H,1-4H2/t5-,6+/m0/s1

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InChIKey

InChI 1.03WRLZCUCTSFUOQY-NTSWFWBYSA-N

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PDB entries

Showing all 1 items

PDB-6rrx:
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol

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