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- ChemComp-J10: Methyl farnesoate -

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Basic information

EntryDatabase: PDB chemical components / ID: J10
NameName: Methyl farnesoate
Synonyms: (2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate

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Chemical information

Composition
Formula: C16H26O2 / Number of atoms: 44 / Formula weight: 250.376 / Formal charge: 0
Others

7ec0

Type: non-polymer / PDB classification: HETAIN / Three letter code: J10 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7EC0
History
Create componentMar 18, 2021
Initial releaseSep 29, 2021
External linksUniChem / ChemSpider / 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 3.385COC(=O)C=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C

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SMILES CANONICAL

CACTVS 3.385COC(=O)\C=C(\C)CC\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C

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InChI

InChI 1.03InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10?,15-12-

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InChIKey

InChI 1.03NWKXNIPBVLQYAB-JOIZPYPQSA-N

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PDB entries

Showing all 1 items

PDB-7ec0:
Crystal structure of juvenile hormone acid methyltransferase JHAMT in complex with S-Adenosyl homocysteine and methyl farnesoate

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