1.0 2010-04-08 22:13:00 UTC 2019-11-26 03:14:36 UTC FDB017282 xi-16-Methyloctadecanoic acid Occurs in butterfat and Baltic salmon. xi-16-Methyloctadecanoic acid is found in milk and milk products and fishes. C19H38O2 298.5038 298.28718046 16-methyloctadecanoic acid (+)-16-methyl stearic acid 17001-28-4 CCC(C)CCCCCCCCCCCCCCC(O)=O InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21) PCGKIWPTIJPQHI-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 acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds 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 Branched fatty acids branched-chain saturated fatty acid long-chain fatty acid methyl-branched fatty acid logp 8.34 ALOGPS logs -6.69 ALOGPS solubility 6.06e-05 g/l ALOGPS logp 7.43 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac 16-methyloctadecanoic acid ChemAxon average_mass 298.5038 ChemAxon mono_mass 298.28718046 ChemAxon smiles CCC(C)CCCCCCCCCCCCCCC(O)=O ChemAxon formula C19H38O2 ChemAxon inchi InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21) ChemAxon inchikey PCGKIWPTIJPQHI-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 90.83 ChemAxon polarizability 40.36 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25282 Specdb::CMs 45661 Specdb::CMs 163269 Specdb::MsMs 70116 Specdb::MsMs 70117 Specdb::MsMs 70118 Specdb::MsMs 128553 Specdb::MsMs 128554 Specdb::MsMs 128555 Specdb::MsMs 2762059 Specdb::MsMs 2762060 Specdb::MsMs 2762061 Specdb::MsMs 2947647 Specdb::MsMs 2947648 Specdb::MsMs 2947649 HMDB38070 #<Reference:0x000055ce32c0ade0> Fishes Unknown generic Milk and milk products Unknown generic