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- ChemComp-HL6: N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: HL6
NameName: N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide / Synonyms: N-hexanoyl-L-homoserine lactone

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Chemical information

Composition
Formula: C10H17NO3 / Number of atoms: 31 / Formula weight: 199.247 / Formal charge: 0
Others

3qp1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HL6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QP1
History
Create componentFeb 15, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / LipidMaps / NMRShiftDB / 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 12.01O=C1OCCC1NC(=O)CCCCC
CACTVS 3.370CCCCCC(=O)N[CH]1CCOC1=O
OpenEye OEToolkits 1.7.0CCCCCC(=O)NC1CCOC1=O

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SMILES CANONICAL

CACTVS 3.370CCCCCC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.7.0CCCCCC(=O)N[C@H]1CCOC1=O

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InChI

InChI 1.03InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1

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InChIKey

InChI 1.03ZJFKKPDLNLCPNP-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
OpenEye OEToolkits 1.7.0N-[(3S)-2-oxooxolan-3-yl]hexanamide

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PDB entries

Showing all 5 items

PDB-3qp1:
Crystal structure of CviR ligand-binding domain bound to the native ligand C6-HSL

PDB-3qp6:
Crystal structure of CviR (Chromobacterium violaceum 12472) bound to C6-HSL

PDB-4g8b:
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant complexed with N-hexanoyl homoserine lactone

PDB-6cgz:
Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-AHL

PDB-9ayt:
Structure of the quorum quenching lactonase GcL bound to N-hexanoyl-L-homoserine lactone

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