1.0 2010-04-08 22:05:36 UTC 2019-11-26 02:58:16 UTC FDB002984 (2'E,4'Z,7'Z,8E)-Colnelenic acid Product of enzymic oxidation of potato lipids. (2'E,4'Z,7'Z,8E)-Colnelenic acid is found in alcoholic beverages and potato. (8e)-9-[(1e,3Z,6Z)-Nona-1,3,6-trien-1-yloxy]-8-nonenoate (8e)-9-[(1e,3Z,6Z)-Nona-1,3,6-trien-1-yloxy]-8-nonenoic acid Acide colnelenique Colnelenic acid C18H28O3 292.4131 292.203844762 (8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]non-8-enoic acid colnelenic acid 52591-16-9 CC\C=C/C\C=C/C=C/O\C=C\CCCCCCC(O)=O InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+ OYKAXBUWOIRLGF-VMBRNALUSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-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 Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Fatty ethers divinyl ether fatty acid long-chain fatty acid straight-chain fatty acid logp 6.04 ALOGPS logs -5.50 ALOGPS solubility 9.19e-04 g/l ALOGPS logp 5.2 ChemAxon pka_strongest_acidic 4.77 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac (8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]non-8-enoic acid ChemAxon average_mass 292.4131 ChemAxon mono_mass 292.203844762 ChemAxon smiles CC\C=C/C\C=C/C=C/O\C=C\CCCCCCC(O)=O ChemAxon formula C18H28O3 ChemAxon inchi InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+ ChemAxon inchikey OYKAXBUWOIRLGF-VMBRNALUSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 90.85 ChemAxon polarizability 34.56 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25108 Specdb::CMs 42300 Specdb::CMs 133018 Specdb::CMs 140752 Specdb::MsMs 60786 Specdb::MsMs 60787 Specdb::MsMs 60788 Specdb::MsMs 117195 Specdb::MsMs 117196 Specdb::MsMs 117197 Specdb::MsMs 2673784 Specdb::MsMs 2673785 Specdb::MsMs 2673786 Specdb::MsMs 3031781 Specdb::MsMs 3031782 Specdb::MsMs 3031783 HMDB30996 #<Reference:0x000055ce2b7edb60> Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113