1.0 2010-04-08 22:05:30 UTC 2025-11-18 22:40:13 UTC FDB002742 Heneicosanoic acid Isolated from olive oil (Olea europaea) Heneicosanoic acid (HEA) is a fatty acid found in human milk fat (PMID: 16332663, 16512938); HEA is also a part of the phospholipids of the articular cartilage boundary lubricant (PMID: 11518278); HEA is a constituent of red blood cell fatty acids. (PMID: 9972864). 21:0 C21:0 Heneicosanate Heneicosanic acid Heneicosanoate Heneicosansaeure Heneicosylate Heneicosylic acid Henicosanoate Henicosanoic acid N-heneicosanoate N-heneicosanoic acid N-Heneicosylate N-Heneicosylic acid N-Henicosanoate N-Henicosanoic acid C21H42O2 326.557 326.318480588 henicosanoic acid heneicosanoic acid 2363-71-5 CCCCCCCCCCCCCCCCCCCCC(O)=O InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23) CKDDRHZIAZRDBW-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 Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Straight chain fatty acids long-chain fatty acid straight-chain saturated fatty acid Solid logp 8.97 ALOGPS logs -6.92 ALOGPS solubility 3.97e-05 g/l ALOGPS melting_point Mp 73-74° logp 8.48 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac henicosanoic acid ChemAxon average_mass 326.557 ChemAxon mono_mass 326.318480588 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCC(O)=O ChemAxon formula C21H42O2 ChemAxon inchi InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23) ChemAxon inchikey CKDDRHZIAZRDBW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 100.09 ChemAxon polarizability 45.09 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 373 Specdb::CMs 2015 Specdb::CMs 14764 Specdb::CMs 31409 Specdb::CMs 38379 Specdb::CMs 137260 Specdb::CMs 144994 Specdb::NmrTwoD 1813 Specdb::NmrOneD 1876 Specdb::NmrOneD 2299 Specdb::NmrOneD 3003 Specdb::MsMs 2067 Specdb::MsMs 2068 Specdb::MsMs 2069 Specdb::MsMs 285557 Specdb::MsMs 285558 Specdb::MsMs 285559 Specdb::MsMs 285560 Specdb::MsMs 298615 Specdb::MsMs 298616 Specdb::MsMs 298617 Specdb::MsMs 340423 Specdb::MsMs 340424 Specdb::MsMs 340425 Specdb::MsMs 373953 Specdb::MsMs 373954 Specdb::MsMs 373955 Specdb::MsMs 373956 Specdb::MsMs 439963 Specdb::MsMs 440443 Specdb::MsMs 440444 Specdb::MsMs 440445 Specdb::MsMs 440446 Specdb::MsMs 450251 Specdb::MsMs 2252977 Specdb::MsMs 2253473 HMDB02345 39248 #<Reference:0x000055ce31dd3358> #<Reference:0x000055ce31dd31a0> #<Reference:0x000055ce31dd2fc0> #<Reference:0x000055ce31dd2db8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Black walnut Type 1 specific Juglans nigra 16719 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Date Type 1 specific Phoenix dactylifera 42345 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Fats and oils Unknown generic Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Herbs and Spices Unknown generic Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Pomes Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823