1.0 2011-09-21 00:29:41 UTC 2019-11-26 03:21:09 UTC FDB023419 9,10,13-TriHOME 9,10,13-TriHOME is a trihydroxyoctadecenoic acid metabolite of linoleic acid, one of the major fatty acids found in lipids. Vascular tissue converts various polyunsaturated fatty acids to monohydroxy and trihydroxy metabolites derived from hydroperoxides which may be involved in regulating prostaglandin synthesis. [HMDB] (11E)-9,10,13-Trihydroxyoctadec-11-enoate (11E)-9,10,13-Trihydroxyoctadec-11-enoic acid (E)-9,10,13-Trihydroxy-11-octadecenoate (E)-9,10,13-Trihydroxy-11-octadecenoic acid 9,10,13-trihydroxy-11-octadecenoate 9,10,13-trihydroxy-11-octadecenoic acid 9,10,13-Trihydroxyoctadec-11-enoate 9,10,13-Trihydroxyoctadec-11-enoic acid C18H34O5 330.4596 330.240624198 (9S,10R,11E,13S)-9,10,13-trihydroxyoctadec-11-enoic acid (9S,10R,11E,13S)-9,10,13-trihydroxyoctadec-11-enoic acid 29907-57-1 CCCCC[C@H](O)\C=C\[C@@H](O)[C@@H](O)CCCCCCCC(O)=O InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m0/s1 NTVFQBIHLSPEGQ-SYMVGPSASA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Polyols Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Unsaturated fatty acid Solid logp 3.76 ALOGPS logs -3.33 ALOGPS solubility 1.53e-01 g/l ALOGPS logp 3.25 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (9S,10R,11E,13S)-9,10,13-trihydroxyoctadec-11-enoic acid ChemAxon average_mass 330.4596 ChemAxon mono_mass 330.240624198 ChemAxon smiles CCCCC[C@H](O)\C=C\[C@@H](O)[C@@H](O)CCCCCCCC(O)=O ChemAxon formula C18H34O5 ChemAxon inchi InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m0/s1 ChemAxon inchikey NTVFQBIHLSPEGQ-SYMVGPSASA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 91.79 ChemAxon polarizability 39.1 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22910 Specdb::CMs 38804 Specdb::CMs 146121 Specdb::MsMs 316861 Specdb::MsMs 316862 Specdb::MsMs 316863 Specdb::MsMs 363226 Specdb::MsMs 363227 Specdb::MsMs 363228 Specdb::MsMs 2312723 Specdb::MsMs 2312724 Specdb::MsMs 2312725 Specdb::MsMs 2653307 Specdb::MsMs 2653308 Specdb::MsMs 2653309 HMDB04710 Garden onion Type 1 specific Allium cepa 4679