1.02010-04-08 22:05:36 UTC2019-11-26 02:58:14 UTCFDB0029679-Oxooctadecanoic acidTrace constituent of milk fat. 9-Oxooctadecanoic acid is found in milk and milk products.9-keto Stearic Acid9-Ketostearic acid9-oxo-Octadecanoic acid9-Oxostearic acidOctadecanoic acid, 9-oxo-C18H34O3298.4608298.2507949549-oxooctadecanoic acid9-keto stearic acid4114-74-3CCCCCCCCCC(=O)CCCCCCCC(O)=OInChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)KNYQSFOUGYMRDE-UHFFFAOYSA-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 compoundsCarboxylic acidsHydrocarbon derivativesKetonesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeKetoneLong-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOther Octadecanoidslogp5.88logs-5.39solubility1.20e-03 g/lmelting_pointMp 83°logp5.97pka_strongest_acidic4.55pka_strongest_basic-7.3iupac9-oxooctadecanoic acidaverage_mass298.4608mono_mass298.250794954smilesCCCCCCCCCC(=O)CCCCCCCC(O)=OformulaC18H34O3inchiInChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)inchikeyKNYQSFOUGYMRDE-UHFFFAOYSA-Npolar_surface_area54.37refractivity86.93polarizability38.26rotatable_bond_count16acceptor_count3donor_count1physiological_charge-1formal_charge0Specdb::CMs13483Specdb::CMs42283Specdb::CMs170261Specdb::MsMs8390Specdb::MsMs8391Specdb::MsMs8392Specdb::MsMs15062Specdb::MsMs15063Specdb::MsMs15064Specdb::MsMs2421999Specdb::MsMs2422000Specdb::MsMs2422001Specdb::MsMs2513977Specdb::MsMs2513978Specdb::MsMs2513979HMDB30979#<Reference:0x0000555675b8e860>Milk and milk productsUnknowngeneric