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- ChemComp-ELX: (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetr... -

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Basic information

EntryDatabase: PDB chemical components / ID: ELX
NameName: (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

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Chemical information

Composition
Formula: C20H34O / Number of atoms: 55 / Formula weight: 290.483 / Formal charge: 0
Others

6lop

Type: non-polymer / PDB classification: HETAIN / Three letter code: ELX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LOP
History
Create componentJan 15, 2020
Initial releaseNov 18, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / SwissLipids / 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

CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C

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InChI

InChI 1.03InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+

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InChIKey

InChI 1.03OJISWRZIEWCUBN-QIRCYJPOSA-N

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PDB entries

Showing all 1 items

PDB-6lop:
Crystal Structure of Class IB terpene synthase bound with geranylgeraniol

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