1.02011-09-21 00:29:41 UTC2019-11-26 03:21:09 UTCFDB0234199,10,13-TriHOME9,10,13-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 acid9,10,13-trihydroxy-11-octadecenoate9,10,13-trihydroxy-11-octadecenoic acid9,10,13-Trihydroxyoctadec-11-enoate9,10,13-Trihydroxyoctadec-11-enoic acidC18H34O5330.4596330.240624198(9S,10R,11E,13S)-9,10,13-trihydroxyoctadec-11-enoic acid(9S,10R,11E,13S)-9,10,13-trihydroxyoctadec-11-enoic acid29907-57-1CCCCC[C@H](O)\C=C\[C@@H](O)[C@@H](O)CCCCCCCC(O)=OInChI=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/s1NTVFQBIHLSPEGQ-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 acidsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugatesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesHydroxy fatty acidsMonocarboxylic acids and derivativesOrganic oxidesPolyolsSecondary alcoholsUnsaturated fatty acidsAlcoholAliphatic acyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeHydroxy fatty acidLong-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundPolyolSecondary alcoholUnsaturated fatty acidSolidlogp3.76logs-3.33solubility1.53e-01 g/llogp3.25pka_strongest_acidic4.62pka_strongest_basic-2.8iupac(9S,10R,11E,13S)-9,10,13-trihydroxyoctadec-11-enoic acidaverage_mass330.4596mono_mass330.240624198smilesCCCCC[C@H](O)\C=C\[C@@H](O)[C@@H](O)CCCCCCCC(O)=OformulaC18H34O5inchiInChI=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/s1inchikeyNTVFQBIHLSPEGQ-SYMVGPSASA-Npolar_surface_area97.99refractivity91.79polarizability39.1rotatable_bond_count15acceptor_count5donor_count4physiological_charge-1formal_charge0Specdb::CMs22910Specdb::CMs38804Specdb::CMs146121Specdb::MsMs316861Specdb::MsMs316862Specdb::MsMs316863Specdb::MsMs363226Specdb::MsMs363227Specdb::MsMs363228Specdb::MsMs2312723Specdb::MsMs2312724Specdb::MsMs2312725Specdb::MsMs2653307Specdb::MsMs2653308Specdb::MsMs2653309HMDB04710Garden onionType 1specificAllium cepa4679