1.0 2018-09-22 06:20:14 UTC 2020-03-13 17:45:58 UTC BMDB0063578 BMDB63578 5Z,13Z-Docosadienoic acid 5Z,13Z-Docosadienoate (6Z,13Z)-Docosa-6,13-dienoate C22H40O2 336.56 336.302830528 (6Z,13Z)-docosa-6,13-dienoic acid (6Z,13Z)-docosa-6,13-dienoic acid CCCCCCCC\C=C/CCCCC\C=C/CCCCC(O)=O InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,16-17H,2-8,11-15,18-21H2,1H3,(H,23,24)/b10-9-,17-16- ILJOFPXBYTXXCP-PWTUJKELSA-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 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 Aliphatic acyclic compounds logp 8.56 ALOGPS logs -7.10 ALOGPS logp 8.2 ChemAxon pka_strongest_acidic 4.89 ChemAxon iupac (6Z,13Z)-docosa-6,13-dienoic acid ChemAxon average_mass 336.56 ChemAxon mono_mass 336.302830528 ChemAxon smiles CCCCCCCC\C=C/CCCCC\C=C/CCCCC(O)=O ChemAxon formula C22H40O2 ChemAxon inchi InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,16-17H,2-8,11-15,18-21H2,1H3,(H,23,24)/b10-9-,17-16- ChemAxon inchikey ILJOFPXBYTXXCP-PWTUJKELSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 106.92 ChemAxon polarizability 44.22 ChemAxon rotatable_bond_count 18 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 1251544 Specdb::MsMs 1251545 Specdb::MsMs 1251546 Specdb::MsMs 1366825 Specdb::MsMs 1366826 Specdb::MsMs 1366827 Specdb::MsMs 3610786 Specdb::MsMs 3610787 Specdb::MsMs 3610788 Specdb::MsMs 3610789 Specdb::MsMs 3610790 Specdb::MsMs 3610791 Milk Raw milk from 6 Holstein and 6 Montbeliarde cows Lopez C, Briard-Bion V, Menard O, Rousseau F, Pradel P, Besle JM: Phospholipid, sphingolipid, and fatty acid compositions of the milk fat globule membrane are modified by diet. J Agric Food Chem. 2008 Jul 9;56(13):5226-36. doi: 10.1021/jf7036104. Epub 2008 Jun 4. 18522410 FDB098409 75319904 157010375 Lopez C, Briard-Bion V, Menard O, Rousseau F, Pradel P, Besle JM: Phospholipid, sphingolipid, and fatty acid compositions of the milk fat globule membrane are modified by diet. J Agric Food Chem. 2008 Jul 9;56(13):5226-36. doi: 10.1021/jf7036104. Epub 2008 Jun 4. 18522410