1.0 2010-04-08 22:05:36 UTC 2019-11-26 02:58:18 UTC FDB002994 3-Methyl-5-pentyl-2-furanundecanoic acid Constituent of fats of the liver and gonads of fishes, e.g. pike (Esox lucius). 3-Methyl-5-pentyl-2-furanundecanoic acid is found in fishes. F5 Acid F5 Furan fatty acid MonoMe(11,5) C21H36O3 336.5087 336.266445018 11-(3-methyl-5-pentylfuran-2-yl)undecanoic acid 11-(3-methyl-5-pentylfuran-2-yl)undecanoic acid 57818-37-8 CCCCCC1=CC(C)=C(CCCCCCCCCCC(O)=O)O1 InChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23) QDTBMEGPXZUECM-UHFFFAOYSA-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 Aromatic heteromonocyclic compounds Carbonyl compounds Carboxylic acids Furanoid fatty acids Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Furan Furanoid fatty acid Heteroaromatic compound Heterocyclic fatty acid Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 6.89 ALOGPS logs -5.15 ALOGPS solubility 2.36e-03 g/l ALOGPS logp 7.09 ChemAxon pka_strongest_acidic 4.95 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 11-(3-methyl-5-pentylfuran-2-yl)undecanoic acid ChemAxon average_mass 336.5087 ChemAxon mono_mass 336.266445018 ChemAxon smiles CCCCCC1=CC(C)=C(CCCCCCCCCCC(O)=O)O1 ChemAxon formula C21H36O3 ChemAxon inchi InChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23) ChemAxon inchikey QDTBMEGPXZUECM-UHFFFAOYSA-N ChemAxon polar_surface_area 50.44 ChemAxon refractivity 99.84 ChemAxon polarizability 43.43 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25516 Specdb::CMs 42306 Specdb::CMs 171466 Specdb::MsMs 64443 Specdb::MsMs 64444 Specdb::MsMs 64445 Specdb::MsMs 121596 Specdb::MsMs 121597 Specdb::MsMs 121598 Specdb::MsMs 2402033 Specdb::MsMs 2402034 Specdb::MsMs 2402035 Specdb::MsMs 2534103 Specdb::MsMs 2534104 Specdb::MsMs 2534105 HMDB31005 #<Reference:0x000055ce323e39f0> Fishes Unknown generic