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- ChemComp-HL0: N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: HL0
NameName: N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide / Synonyms: N-decanoyl-L-homoserine lactone

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Chemical information

Composition
Formula: C14H25NO3 / Number of atoms: 43 / Formula weight: 255.353 / Formal charge: 0
Others

3qp4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HL0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QP4
History
Create componentFeb 15, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / CompTox / LipidMaps / Nikkaji / PubChem / PubChem_TPharma / 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)CCCCCCCCC
CACTVS 3.370CCCCCCCCCC(=O)N[CH]1CCOC1=O
OpenEye OEToolkits 1.7.0CCCCCCCCCC(=O)NC1CCOC1=O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1

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InChIKey

InChI 1.03TZWZKDULKILUPV-LBPRGKRZSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 5 items

PDB-3qp4:
Crystal structure of CviR ligand-binding domain bound to C10-HSL

PDB-3qp8:
Crystal structure of CviR (Chromobacterium violaceum 12472) ligand-binding domain bound to C10-HSL

PDB-9iss:
Crystal Structure of Cytochrome P450BM3 III-10C1 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone

PDB-9ist:
Crystal Structure of Cytochrome P450BM3 VI-18A12 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone

PDB-9isu:
Crystal Structure of Cytochrome P450BM3 V-19A14 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone

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