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- ChemComp-GER: GERAN-8-YL GERAN -

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Basic information

EntryDatabase: PDB chemical components / ID: GER
NameName: geran-8-yl geran

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Chemical information

Composition
Formula: C20H34 / Number of atoms: 54 / Formula weight: 274.484 / Formal charge: 0
Others

1doa

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GER / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1DOA
History
Create componentJan 19, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Nikkaji / PubChem / 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 10.04C(=C/CCC(=C/C)/C)(\CC/C=C(/CC/C=C(\C)C)C)C
CACTVS 3.341CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

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SMILES CANONICAL

CACTVS 3.341C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C

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InChI

InChI 1.03InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+

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InChIKey

InChI 1.03HSOYJGBJQAKCNA-CAIKYXSQSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene
OpenEye OEToolkits 1.5.0(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene

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