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- ChemComp-MN1: 4-CARBOXYPIPERIDINE -

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Basic information

EntryDatabase: PDB chemical components / ID: MN1
NameName: 4-carboxypiperidine
Commentagonist*YM

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Chemical information

Composition
Formula: C6H11NO2 / Number of atoms: 20 / Formula weight: 129.157 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: MN1
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / HMDB / 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=C(O)C1CCNCC1
CACTVS 3.341OC(=O)C1CCNCC1
OpenEye OEToolkits 1.5.0C1CNCCC1C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)C1CCNCC1
OpenEye OEToolkits 1.5.0C1CNCCC1C(=O)O

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InChI

InChI 1.03InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)

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InChIKey

InChI 1.03SRJOCJYGOFTFLH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04piperidine-4-carboxylic acid
OpenEye OEToolkits 1.5.0piperidine-4-carboxylic acid

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PDB entries

Showing all 2 items

PDB-5fxv:
Crystal structure of JmjC domain of human histone demethylase UTY in complex with N05859b

PDB-5fz6:
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)

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