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- ChemComp-64Z: Geraniol -

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Basic information

EntryDatabase: PDB chemical components / ID: 64Z
NameName: Geraniol

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Chemical information

Composition
Formula: C10H18O / Number of atoms: 29 / Formula weight: 154.249 / Formal charge: 0
Others

5hss

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 64Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HSS
History
Create componentJan 26, 2016
Initial releaseApr 27, 2016
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 12.01C(=C/CC\C(=C\CO)C)(\C)C
CACTVS 3.385CC(C)=CCCC(C)=CCO
OpenEye OEToolkits 2.0.4CC(=CCCC(=CCO)C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=CCC\C(C)=C\CO
OpenEye OEToolkits 2.0.4CC(=CCC/C(=C/CO)/C)C

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InChI

InChI 1.03InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

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InChIKey

InChI 1.03GLZPCOQZEFWAFX-JXMROGBWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2E)-3,7-dimethylocta-2,6-dien-1-ol
OpenEye OEToolkits 2.0.4(2~{E})-3,7-dimethylocta-2,6-dien-1-ol

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PDB entries

Showing all 5 items

PDB-5g1u:
Linalool Dehydratase Isomerase in complex with Geraniol

PDB-5hss:
Linalool dehydratase/isomerase: Ldi with monoterpene substrate

PDB-6dew:
Structure of human COQ9 protein with bound isoprene.

PDB-6pgs:
Crystal structure of bovine opsin with geraniol bound

PDB-8pwo:
Hepatitis B core protein with bound Geraniol

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