+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9HO | ||
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Name | Name: (Wikipedia | Wikipedia - 9-Hydroxyoctadecadienoic acid: 9-Hydroxyoctadecadienoic acid (or 9-HODE) has been used in the literature to designate either or both of two stereoisomer metabolites of the essential fatty acid, linoleic acid: 9-hydroxy-10,12-octadecadienoic acid (9-HODE) and 9-hydroxy-10,12-octadecadienoic acid (9-HODE); these two metabolites differ in having their hydroxy residues in the S or R configurations, respectively. The accompanying figure gives the structure for 9-HETE... | |
-Chemical information
Composition | Formula: C18H32O3 / Number of atoms: 53 / Formula weight: 296.445 / Formal charge: 0 | ||||
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Others | Type: non-polymer / Three letter code: 9HO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VSR | ||||
History |
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External links | UniChem / Brenda / ChEBI / ChEMBL / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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