1.0 2011-09-21 01:31:13 UTC 2015-07-21 06:59:16 UTC FDB027870 3-Oxooctanoic acid 3-Oxo-Octanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enzymes; beta-ketoacyl-acyl-carrier- protein synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier- protein synthase II. [HMDB] 3-keto-N-Caprylate 3-keto-N-Caprylic acid 3-Ketooctanoate 3-Ketooctanoic acid 3-Oxo-Octanoate 3-Oxo-Octanoic acid 3-Oxooctanoate 3-Oxooctanoic acid b-Ketocaprylate b-Ketocaprylic acid b-Ketooctanoate b-Ketooctanoic acid b-Oxocaprylate b-Oxocaprylic acid b-Oxooctanoate b-Oxooctanoic acid beta-Ketocaprylate beta-Ketocaprylic acid beta-Ketooctanoate beta-Ketooctanoic acid beta-Oxocaprylate beta-Oxocaprylic acid beta-Oxooctanoate beta-Oxooctanoic acid β-ketocaprylate β-ketocaprylic acid β-ketooctanoate β-ketooctanoic acid β-oxocaprylate β-oxocaprylic acid β-oxooctanoate β-oxooctanoic acid C8H14O3 158.195 158.094294314 3-oxooctanoic acid 3-oxooctanoic acid 13283-91-5 CCCCCC(=O)CC(O)=O InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11) FWNRRWJFOZIGQZ-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Medium-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Aliphatic acyclic compounds 1,3-dicarbonyl compounds Beta-hydroxy ketones Beta-keto acids and derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 1,3-dicarbonyl compound Aliphatic acyclic compound Beta-hydroxy ketone Beta-keto acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound 3-oxo monocarboxylic acid Oxo fatty acids oxo fatty acid Solid logp 1.40 ALOGPS logs -1.65 ALOGPS solubility 3.56e+00 g/l ALOGPS logp 2.03 ChemAxon pka_strongest_acidic 4.58 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 3-oxooctanoic acid ChemAxon average_mass 158.195 ChemAxon mono_mass 158.094294314 ChemAxon smiles CCCCCC(=O)CC(O)=O ChemAxon formula C8H14O3 ChemAxon inchi InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11) ChemAxon inchikey FWNRRWJFOZIGQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 40.97 ChemAxon polarizability 17.02 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Fatty Acid Biosynthesis SMP00456 Specdb::CMs 3162 Specdb::CMs 39529 Specdb::CMs 149111 Specdb::MsIr 2477 Specdb::MsIr 2478 Specdb::MsIr 2479 Specdb::MsMs 182850 Specdb::MsMs 182851 Specdb::MsMs 182852 Specdb::MsMs 183198 Specdb::MsMs 183199 Specdb::MsMs 183200 Specdb::MsMs 2729797 Specdb::MsMs 2729798 Specdb::MsMs 2729799 Specdb::MsMs 2975639 Specdb::MsMs 2975640 Specdb::MsMs 2975641 Specdb::NmrOneD 92572 Specdb::NmrOneD 92573 Specdb::NmrOneD 92574 Specdb::NmrOneD 92575 Specdb::NmrOneD 92576 Specdb::NmrOneD 92577 Specdb::NmrOneD 92578 Specdb::NmrOneD 92579 Specdb::NmrOneD 92580 Specdb::NmrOneD 92581 Specdb::NmrOneD 92582 Specdb::NmrOneD 92583 Specdb::NmrOneD 92584 Specdb::NmrOneD 92585 Specdb::NmrOneD 92586 Specdb::NmrOneD 92587 Specdb::NmrOneD 92588 Specdb::NmrOneD 92589 Specdb::NmrOneD 92590 Specdb::NmrOneD 92591 HMDB10721 OOA Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823