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- ChemComp-UQ1: UBIQUINONE-1 -

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Basic information

EntryDatabase: PDB chemical components / ID: UQ1
NameName: ubiquinone-1

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Chemical information

Composition
Formula: C14H18O4 / Number of atoms: 36 / Formula weight: 250.29 / Formal charge: 0
Others

1prc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UQ1 / Model coordinates PDB-ID: 1PRC
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / HMDB / Metabolights / 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 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C

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SMILES CANONICAL

CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C

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InChI

InChI 1.03InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

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InChIKey

InChI 1.03SOECUQMRSRVZQQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.5.02,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione

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