1.02013-03-04 10:16:09 UTC2019-11-26 03:21:35 UTCFDB030008Petroselaidic acidMinor constituent of plant oils. Constituent of milk fat and from porcine parasites Oesophagostomum dentatum and Oesophagostomum quadrispinulatum [CCD]. Petroselaidic acid is found in fats and oils.(E)-6-Octadecenoic acid6E-Octadecenoic acidTarelaidinic acidC18H34O2282.4614282.255880332(6E)-octadec-6-enoic acidpetroselenic acid593-40-8CCCCCCCCCCC\C=C\CCCCC(O)=OInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+CNVZJPUDSLNTQU-OUKQBFOZSA-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 derivativesMonocarboxylic acids and derivativesOrganic oxidesStraight chain fatty acidsUnsaturated fatty acidsAliphatic acyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeLong-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundStraight chain fatty acidUnsaturated fatty acidUnsaturated fatty acidsoctadec-6-enoic acidsolidlogp7.72logs-6.39solubility1.15e-04 g/lmelting_pointMp 52.7 - 53.4°C; Mp 54 - 59°Clogp6.78pka_strongest_acidic4.89iupac(6E)-octadec-6-enoic acidaverage_mass282.4614mono_mass282.255880332smilesCCCCCCCCCCC\C=C\CCCCC(O)=OformulaC18H34O2inchiInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+inchikeyCNVZJPUDSLNTQU-OUKQBFOZSA-Npolar_surface_area37.3refractivity87.4polarizability37.66rotatable_bond_count15acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::MsMs75138Specdb::MsMs75139Specdb::MsMs75140Specdb::MsMs134718Specdb::MsMs134719Specdb::MsMs134720Specdb::MsMs3605206Specdb::MsMs3605207Specdb::MsMs3605208Specdb::MsMs3605209Specdb::MsMs3605210Specdb::MsMs3605211Fats and oilsUnknowngenericMilk (Cow)Type 2specific