1.0 2018-06-25 21:46:34 UTC 2020-04-22 15:51:14 UTC BMDB0062047 BMDB62047 Isopalmitic acid Isopalmitic acid, also known as isopalmitate, 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. Isopalmitic acid exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Isopalmitate 3,4-Dihydroxyphenyl thiocyanate 4-Thiocyanatopyrocatechol Thiocyanic acid, 3,4-dihydroxyphenyl ester Iso-C16:0 Isohexadecanoic acid Isopalmitic acid FA(i-16:0) C16H32O2 256.4241 256.240230268 14-methylpentadecanoic acid isopalmitic acid 4669-02-7 CC(C)CCCCCCCCCCCCC(O)=O InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18) ZONJATNKKGGVSU-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Long-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Branched fatty acids branched-chain saturated fatty acid long-chain fatty acid methyl-branched fatty acid Solid melting_point 61.8 - 62.4 °C logp 7.04 ALOGPS logs -6.00 ALOGPS logp 6.1 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac 14-methylpentadecanoic acid ChemAxon average_mass 256.4241 ChemAxon mono_mass 256.240230268 ChemAxon smiles CC(C)CCCCCCCCCCCCC(O)=O ChemAxon formula C16H32O2 ChemAxon inchi InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18) ChemAxon inchikey ZONJATNKKGGVSU-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 77.03 ChemAxon polarizability 34.08 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19719 Specdb::CMs 42342 Specdb::CMs 171500 Specdb::MsMs 68751 Specdb::MsMs 68752 Specdb::MsMs 68753 Specdb::MsMs 126858 Specdb::MsMs 126859 Specdb::MsMs 126860 Specdb::MsMs 2240046 Specdb::MsMs 2241683 Specdb::MsMs 2243717 Specdb::MsMs 2307183 Specdb::MsMs 2307184 Specdb::MsMs 2307185 Specdb::MsMs 3062518 Specdb::MsMs 3062519 Specdb::MsMs 3062520 Milk GARTON GA: THE COMPOSITION AND BIOSYNTHESIS OF MILK LIPIDS. J Lipid Res. 1963 Jul;4:237-54. 14168161 FDB003070 33331 36247 84890 C00052561 GARTON GA: THE COMPOSITION AND BIOSYNTHESIS OF MILK LIPIDS. J Lipid Res. 1963 Jul;4:237-54. 14168161