1.0 2016-09-30 22:41:47 UTC 2020-04-22 15:06:53 UTC BMDB0001160 BMDB01160 Tricosanoic acid Tricosanoic acid, also known as N-tricosanoate or 22FA, belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Tricosanoic acid exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Tricosanoic acid is a potentially toxic compound. N-Tricosanoic acid N-Tricosanoate Tricosanoate 22FA F23 Tricosanoic acid, aluminum salt Tricosanoic acid, calcium salt Tricosanoic acid, lead salt Tricosylate Tricosanoic acid 23FA Tricosylic acid FA(23:0) C23H46O2 354.6101 354.349780716 tricosanoic acid tricosanoic acid 2433-96-7 CCCCCCCCCCCCCCCCCCCCCCC(O)=O InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25) XEZVDURJDFGERA-UHFFFAOYSA-N belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Very long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Very long-chain fatty acid Aliphatic acyclic compounds Straight chain fatty acids straight-chain saturated fatty acid very long-chain fatty acid Solid melting_point 77.0 - 79.0 °C logp 9.39 ALOGPS logs -7.14 ALOGPS logp 9.37 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac tricosanoic acid ChemAxon average_mass 354.6101 ChemAxon mono_mass 354.349780716 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCC(O)=O ChemAxon formula C23H46O2 ChemAxon inchi InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25) ChemAxon inchikey XEZVDURJDFGERA-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 109.29 ChemAxon polarizability 49.4 ChemAxon rotatable_bond_count 21 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::MsMs 1439 Specdb::MsMs 1440 Specdb::MsMs 1441 Specdb::MsMs 251646 Specdb::MsMs 251647 Specdb::MsMs 251648 Specdb::MsMs 271587 Specdb::MsMs 271588 Specdb::MsMs 271589 Specdb::MsMs 285987 Specdb::MsMs 285988 Specdb::MsMs 285989 Specdb::MsMs 285990 Specdb::MsMs 285991 Specdb::MsMs 286447 Specdb::MsMs 286448 Specdb::MsMs 286449 Specdb::MsMs 286450 Specdb::MsMs 286451 Specdb::MsMs 373940 Specdb::MsMs 373941 Specdb::MsMs 373942 Specdb::MsMs 373943 Specdb::MsMs 373944 Specdb::MsMs 440433 Specdb::NmrOneD 1652 Specdb::NmrOneD 2303 Specdb::NmrOneD 3007 Specdb::NmrOneD 166539 Specdb::EiMs 691 Specdb::CMs 2096 Specdb::CMs 7089 Specdb::CMs 31283 Specdb::CMs 37950 Specdb::CMs 150504 Specdb::NmrTwoD 1593 Milk Raw milk. Meta-Analysis Glasser F, Ferlay A, Chilliard Y: Oilseed lipid supplements and fatty acid composition of cow milk: a meta-analysis. J Dairy Sci. 2008 Dec;91(12):4687-703. doi: 10.3168/jds.2008-0987. 19038946 Milk GARTON GA: THE COMPOSITION AND BIOSYNTHESIS OF MILK LIPIDS. J Lipid Res. 1963 Jul;4:237-54. 14168161 Muscle Samples have been collected from Heifer cows. Osorio MT, Downey G, Moloney AP, Rohrle FT, Luciano G, Schmidt O, Monahan FJ: Beef authentication using dietary markers: chemometric selection and modelling of significant beef biomarkers using concatenated data from multiple analytical methods. Food Chem. 2013 Dec 1;141(3):2795-801. doi: 10.1016/j.foodchem.2013.05.118. Epub 2013 Jun 5. 23871026 DB03500 FDB002894 16170 42394 17085 C00053866 CPD-7834 Tricosylic acid 4211 GARTON GA: THE COMPOSITION AND BIOSYNTHESIS OF MILK LIPIDS. J Lipid Res. 1963 Jul;4:237-54. 14168161 Glasser F, Ferlay A, Chilliard Y: Oilseed lipid supplements and fatty acid composition of cow milk: a meta-analysis. J Dairy Sci. 2008 Dec;91(12):4687-703. doi: 10.3168/jds.2008-0987. 19038946