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- ChemComp-ID7: (3R)-piperidine-3-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: ID7
NameName: (3R)-piperidine-3-carboxylic acid / Synonyms: (R)-nipecotic acid

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Chemical information

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

7y7y

Type: non-polymer / PDB classification: HETAIN / Three letter code: ID7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Y7Y
History
Create componentJun 27, 2022
Initial releaseApr 26, 2023
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(=O)[CH]1CCCNC1
OpenEye OEToolkits 2.0.7C1CC(CNC1)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@@H]1CCCNC1
OpenEye OEToolkits 2.0.7C1C[C@H](CNC1)C(=O)O

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InChI

InChI 1.06InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1

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InChIKey

InChI 1.06XJLSEXAGTJCILF-RXMQYKEDSA-N

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PDB entries

Showing all 3 items

PDB-7y7y:
Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom

PDB-9dl6:
Structure of proline utilization A complexed with piperidine-3-carboxylic acid

PDB-9k1z:
Cryo-EM structure of human taurine transporter bound with nipecotic acid in an inward open state

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