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- ChemComp-6SP: (3S)-pyrrolidin-3-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: 6SP
NameName: (3S)-pyrrolidin-3-ol

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Chemical information

Composition
Formula: C4H9NO / Number of atoms: 15 / Formula weight: 87.12 / Formal charge: 0
Others

3ubw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6SP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UBW
History
Create componentOct 27, 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 12.01OC1CCNC1
CACTVS 3.370O[CH]1CCNC1
OpenEye OEToolkits 1.7.2C1CNCC1O

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SMILES CANONICAL

CACTVS 3.370O[C@H]1CCNC1
OpenEye OEToolkits 1.7.2C1CNC[C@H]1O

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InChI

InChI 1.03InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1

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InChIKey

InChI 1.03JHHZLHWJQPUNKB-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3S)-pyrrolidin-3-ol
OpenEye OEToolkits 1.7.2(3S)-pyrrolidin-3-ol

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PDB entries

Showing all 1 items

PDB-3ubw:
Complex of 14-3-3 isoform epsilon, a Mlf1 phosphopeptide and a small fragment hit from a FBDD screen

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