1.0 2010-04-08 22:09:13 UTC 2019-11-26 03:03:55 UTC FDB010627 15-Octadecene-9,11,13-triynoic acid Major component of the lipids of Santalum acuminatum (quandong). 15-Octadecene-9,11,13-triynoic acid is found in fruits. C18H22O2 270.3661 270.161979948 (15Z)-octadec-15-en-9,11,13-triynoic acid (15Z)-octadec-15-en-9,11,13-triynoic acid CC\C=C/C#CC#CC#CCCCCCCCC(O)=O InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,11-17H2,1H3,(H,19,20)/b4-3- PNPJTOHNBYQMEA-ARJAWSKDSA-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 5.34 ALOGPS logs -4.71 ALOGPS solubility 5.33e-03 g/l ALOGPS logp 5.54 ChemAxon pka_strongest_acidic 4.53 ChemAxon iupac (15Z)-octadec-15-en-9,11,13-triynoic acid ChemAxon average_mass 270.3661 ChemAxon mono_mass 270.161979948 ChemAxon smiles CC\C=C/C#CC#CC#CCCCCCCCC(O)=O ChemAxon formula C18H22O2 ChemAxon inchi InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,11-17H2,1H3,(H,19,20)/b4-3- ChemAxon inchikey PNPJTOHNBYQMEA-ARJAWSKDSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 85.49 ChemAxon polarizability 33.93 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22050 Specdb::CMs 42908 Specdb::CMs 147988 Specdb::MsMs 108168 Specdb::MsMs 108169 Specdb::MsMs 108170 Specdb::MsMs 175320 Specdb::MsMs 175321 Specdb::MsMs 175322 Specdb::MsMs 2343063 Specdb::MsMs 2343064 Specdb::MsMs 2343065 Specdb::MsMs 2596354 Specdb::MsMs 2596355 Specdb::MsMs 2596356 HMDB32673 #<Reference:0x00007f093c0734f0> Fruits Unknown generic