1.0 2016-09-30 22:49:03 UTC 2020-05-11 20:39:42 UTC BMDB0001954 BMDB01954 3-Hydroxyoctanoic acid 3-Hydroxy-octanoic acid 3-Hydroxycaprylic acid 3-OH Octanoic acid 3-OH-Caprylic acid 3HO beta-Hydroxycaprylic acid beta-Hydroxyoctanoic acid beta-OH-Caprylic acid beta-OH-Octanoic acid 3-Hydroxy-octanoate 3-Hydroxycaprylate 3-OH Octanoate 3-OH-Caprylate b-Hydroxycaprylate b-Hydroxycaprylic acid beta-Hydroxycaprylate Β-hydroxycaprylate Β-hydroxycaprylic acid b-Hydroxyoctanoate b-Hydroxyoctanoic acid beta-Hydroxyoctanoate Β-hydroxyoctanoate Β-hydroxyoctanoic acid b-OH-Caprylate b-OH-Caprylic acid beta-OH-Caprylate Β-OH-caprylate Β-OH-caprylic acid b-OH-Octanoate b-OH-Octanoic acid beta-OH-Octanoate Β-OH-octanoate Β-OH-octanoic acid 3-Hydroxyoctanoate (+/-)-3-hydroxyoctanoate (+/-)-3-hydroxyoctanoic acid 3-Hydroxy caprylic acid 3-Hydroxyoctanoic acid homopolymer 8:0(3-OH) Poly-3-hydroxyoctanoate Poly-3-hydroxyoctanoic acid 3-Hydroxyoctanoic acid, (S)-isomer 3-Hydroxy caprylate 3-Hydroxyoctanoic acid C8H16O3 160.2108 160.109944378 3-hydroxyoctanoic acid (+/-)-3-hydroxyoctanoic acid 14292-27-4 CCCCCC(O)CC(O)=O InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11) NDPLAKGOSZHTPH-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds 3-hydroxy fatty acid 3-hydroxy monocarboxylic acid Hydroxy fatty acids medium-chain fatty acid Solid logp 1.44 ALOGPS logs -1.07 ALOGPS logp 1.47 ChemAxon pka_strongest_acidic 4.84 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxyoctanoic acid ChemAxon average_mass 160.2108 ChemAxon mono_mass 160.109944378 ChemAxon smiles CCCCCC(O)CC(O)=O ChemAxon formula C8H16O3 ChemAxon inchi InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11) ChemAxon inchikey NDPLAKGOSZHTPH-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 41.79 ChemAxon polarizability 18.14 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 12377 Specdb::MsMs 12378 Specdb::MsMs 12379 Specdb::MsMs 19049 Specdb::MsMs 19050 Specdb::MsMs 19051 Specdb::CMs 1841 Specdb::CMs 20345 Specdb::CMs 31376 Specdb::CMs 38198 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 24791 FDB022761 26613 37098 3-Hydroxyoctanoic acid Tahara, Satoshi; Suzuki, Yumiko; Mizutani, Junya. Fungal metabolism of a,b-unsaturated carboxylic acids. Part III. Fungal metabolism of trans-2-octenoic acid. Agricultural and Biological Chemistry (1977), 41(9), 1643-50.