1.0 2010-04-08 22:11:27 UTC 2019-11-26 03:10:43 UTC FDB014767 (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid Constituent of the roots of Ximenia americana (tallow nut). (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid is found in fruits. C18H26O2 274.3978 274.193280076 (10Z,14E,16E)-octadeca-10,14,16-trien-12-ynoic acid (10Z,14E,16E)-octadeca-10,14,16-trien-12-ynoic acid C\C=C\C=C\C#C\C=C/CCCCCCCCC(O)=O InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8- KDVOULUCGQGVQH-IUDSIRJBSA-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 Unsaturated 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 Unsaturated fatty acid logp 6.04 ALOGPS logs -5.54 ALOGPS solubility 7.96e-04 g/l ALOGPS logp 5.64 ChemAxon pka_strongest_acidic 5.02 ChemAxon iupac (10Z,14E,16E)-octadeca-10,14,16-trien-12-ynoic acid ChemAxon average_mass 274.3978 ChemAxon mono_mass 274.193280076 ChemAxon smiles C\C=C\C=C\C#C\C=C/CCCCCCCCC(O)=O ChemAxon formula C18H26O2 ChemAxon inchi InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8- ChemAxon inchikey KDVOULUCGQGVQH-IUDSIRJBSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 89 ChemAxon polarizability 34.88 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13550 Specdb::CMs 44658 Specdb::CMs 148512 Specdb::MsMs 74487 Specdb::MsMs 74488 Specdb::MsMs 74489 Specdb::MsMs 133881 Specdb::MsMs 133882 Specdb::MsMs 133883 Specdb::MsMs 2279327 Specdb::MsMs 2279328 Specdb::MsMs 2279329 Specdb::MsMs 3090363 Specdb::MsMs 3090364 Specdb::MsMs 3090365 HMDB35963 #<Reference:0x000055ce304ec628> Fruits Unknown generic