1.0 2011-09-21 00:21:42 UTC 2019-11-26 03:21:06 UTC FDB022918 Adrenic acid Adrenic acid, which is a prostacyclin inhibitor, appears to be potential prothrombotic agent. (PMID 1642692) [HMDB] (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoate (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid 7,10,13,16-Docosatetraenoate 7,10,13,16-Docosatetraenoic acid 7,10,13,16-Docosatetraenoic acid (VAN) Adrenate 7,10,13,16-Docosatetraenoic acid (VAN) Adrenic acid 7Z,10Z,13Z,16Z-Docosatetraenoate 7Z,10Z,13Z,16Z-Docosatetraenoic acid Adrenate all-cis-7,10,13,16-Docosatetraenoate all-cis-7,10,13,16-Docosatetraenoic acid cis,cis,cis,cis-Docosa-7,10,13,16-tetraensaeure C22H36O2 332.52 332.271530396 docosa-7,10,13,16-tetraenoic acid docosa-7,10,13,16-tetraenoic acid 28874-58-0 CCCCCC=CCC=CCC=CCC=CCCCCCC(O)=O InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24) TWSWSIQAPQLDBP-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. Very 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 Unsaturated 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 Unsaturated fatty acid Very long-chain fatty acid Solid logp 7.42 ALOGPS logs -6.76 ALOGPS solubility 5.77e-05 g/l ALOGPS logp 7.48 ChemAxon pka_strongest_acidic 4.96 ChemAxon iupac docosa-7,10,13,16-tetraenoic acid ChemAxon average_mass 332.52 ChemAxon mono_mass 332.271530396 ChemAxon smiles CCCCCC=CCC=CCC=CCC=CCCCCCC(O)=O ChemAxon formula C22H36O2 ChemAxon inchi InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24) ChemAxon inchikey TWSWSIQAPQLDBP-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 109.16 ChemAxon polarizability 41.59 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Alpha Linolenic Acid and Linoleic Acid Metabolism SMP00018 map00592 Specdb::CMs 1088882 Specdb::MsMs 3635157 Specdb::MsMs 3635158 Specdb::MsMs 3635159 Specdb::MsMs 3635160 Specdb::MsMs 3635161 Specdb::MsMs 3635162 Specdb::NmrOneD 344988 Specdb::NmrOneD 344989 Specdb::NmrOneD 344990 Specdb::NmrOneD 344991 Specdb::NmrOneD 344992 Specdb::NmrOneD 344993 Specdb::NmrOneD 344994 Specdb::NmrOneD 344995 Specdb::NmrOneD 344996 Specdb::NmrOneD 344997 Specdb::NmrOneD 344998 Specdb::NmrOneD 344999 Specdb::NmrOneD 345000 Specdb::NmrOneD 345001 Specdb::NmrOneD 345002 Specdb::NmrOneD 345003 Specdb::NmrOneD 345004 Specdb::NmrOneD 345005 Specdb::NmrOneD 345006 Specdb::NmrOneD 345007 HMDB02226 #<Reference:0x000055ce333571e8> #<Reference:0x000055ce33357030> #<Reference:0x000055ce33356e78> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 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 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 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 2315.65 2375.797 2255.503 uM 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 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