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- ChemComp-LSR: 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene -

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Basic information

EntryDatabase: PDB chemical components / ID: LSR
NameName: 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene

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Chemical information

Composition
Formula: C15H24 / Number of atoms: 39 / Formula weight: 204.351 / Formal charge: 0
Others

3cr6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LSR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3CR6
History
Create componentApr 17, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / 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(/C1=C(CCCC1(C)C)C)=C\C(=C\C)C
CACTVS 3.341CC=C(C)C=CC1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.5.0CC=C(C)C=CC1=C(CCCC1(C)C)C

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SMILES CANONICAL

CACTVS 3.341C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.5.0C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C

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InChI

InChI 1.03InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+

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InChIKey

InChI 1.03KUEVAPFABUUVHS-AYCKBHPDSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
OpenEye OEToolkits 1.5.01,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene

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PDB entries

Showing all 4 items

PDB-3cr6:
Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid Binding Protein Type II Complexed with C15-aldehyde (a retinal analog) at 1.22 Angstrom resolution.

PDB-3f8a:
Crystal Structure of the R132K:R111L:L121E:R59W Mutant of Cellular Retinoic Acid-Binding Protein Type II Complexed with C15-aldehyde (a retinal analog) at 1.95 Angstrom resolution.

PDB-3f9d:
Crystal structure of the R132K:R111L:T54E mutant of cellular retinoic acid-binding protein II complexed with C15-aldehyde (a retinal analog) at 2.00 angstrom resolution

PDB-3fa6:
Crystal structure of the R132K:Y134F:R111L:L121D:T54V mutant of cellular retinoic acid-binding protein II complexed with C15-aldehyde (a retinal analog) at 1.54 angstrom resolution

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