1.0 2010-04-08 22:05:39 UTC 2019-11-26 02:58:28 UTC FDB003096 3-Methyl-5-pentyl-2-furannonanoic acid Component of F acid fraction present in beef blood serum. 3-Methyl-5-pentyl-2-furannonanoic acid is found in animal foods. 10,13-Epoxy-11-methyl-10,12-octadecadienoic acid 10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid 2-Furannonanoic acid, 3-methyl-5-pentyl- Emod f-acid F2 Acid Furan Fatty Acid F18 MonoMe(9,5) C19H32O3 308.4556 308.23514489 9-(3-methyl-5-pentylfuran-2-yl)nonanoic acid 9-(3-methyl-5-pentylfuran-2-yl)nonanoic acid 57818-39-0 CCCCCC1=CC(C)=C(CCCCCCCCC(O)=O)O1 InChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21) TUQVXFOSXOCQCM-UHFFFAOYSA-N belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid. Furanoid fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aromatic heteromonocyclic compounds Carbonyl compounds Carboxylic acids Furans Heteroaromatic compounds Hydrocarbon derivatives Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 6.21 ALOGPS logs -4.93 ALOGPS solubility 3.66e-03 g/l ALOGPS logp 6.2 ChemAxon pka_strongest_acidic 4.87 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 9-(3-methyl-5-pentylfuran-2-yl)nonanoic acid ChemAxon average_mass 308.4556 ChemAxon mono_mass 308.23514489 ChemAxon smiles CCCCCC1=CC(C)=C(CCCCCCCCC(O)=O)O1 ChemAxon formula C19H32O3 ChemAxon inchi InChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21) ChemAxon inchikey TUQVXFOSXOCQCM-UHFFFAOYSA-N ChemAxon polar_surface_area 50.44 ChemAxon refractivity 90.64 ChemAxon polarizability 39.13 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16789 Specdb::CMs 42351 Specdb::CMs 130962 Specdb::CMs 138696 Specdb::MsMs 10115 Specdb::MsMs 10116 Specdb::MsMs 10117 Specdb::MsMs 16787 Specdb::MsMs 16788 Specdb::MsMs 16789 Specdb::MsMs 2766680 Specdb::MsMs 2766681 Specdb::MsMs 2766682 Specdb::MsMs 2911910 Specdb::MsMs 2911911 Specdb::MsMs 2911912 HMDB31091 #<Reference:0x000055ce326f7740>