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- ChemComp-V1L: piperidin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: V1L
NameName: piperidin-2-one / Synonyms: valerolactam

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Chemical information

Composition
Formula: C5H9NO / Number of atoms: 16 / Formula weight: 99.131 / Formal charge: 0
Others

5ohb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: V1L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OHB
History
Create componentJul 17, 2017
Initial releaseOct 10, 2018
Modify synonymsMar 1, 2021
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 3.385O=C1CCCCN1
OpenEye OEToolkits 2.0.6C1CCNC(=O)C1

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SMILES CANONICAL

CACTVS 3.385O=C1CCCCN1
OpenEye OEToolkits 2.0.6C1CCNC(=O)C1

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InChI

InChI 1.03InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)

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InChIKey

InChI 1.03XUWHAWMETYGRKB-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-5ohb:
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Piperidin-2-one (Valerolactam)

PDB-5s7p:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a

PDB-6tx7:
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE

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