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- ChemComp-UQ2: UBIQUINONE-2 -

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Basic information

EntryDatabase: PDB chemical components / ID: UQ2
NameName: ubiquinone-2

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Chemical information

Composition
Formula: C19H26O4 / Number of atoms: 49 / Formula weight: 318.407 / Formal charge: 0
Others

2prc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UQ2 / Model coordinates PDB-ID: 2PRC
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / DrugBank / HMDB / KEGG_Ligand / 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)CC\C=C(/C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C

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SMILES CANONICAL

CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C

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InChI

InChI 1.03InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+

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InChIKey

InChI 1.03SQQWBSBBCSFQGC-JLHYYAGUSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.5.02-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione

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