1.0 2016-09-30 22:29:47 UTC 2020-05-11 20:36:55 UTC BMDB0000387 BMDB00387 3-Hydroxydodecanoic acid 3-Hydroxy-dodecanoic acid 3-OH Dodecanoic acid 3-OH Lauric acid beta-Hydroxydodecanoic acid beta-Hydroxylauric acid beta-OH Dodecanoic acid beta-OH Lauric acid 3-Hydroxy-dodecanoate 3-OH Dodecanoate 3-OH Laate 3-OH Laic acid b-Hydroxydodecanoate b-Hydroxydodecanoic acid beta-Hydroxydodecanoate Β-hydroxydodecanoate Β-hydroxydodecanoic acid b-Hydroxylaate b-Hydroxylaic acid beta-Hydroxylaate beta-Hydroxylaic acid Β-hydroxylaate Β-hydroxylaic acid b-OH Dodecanoate b-OH Dodecanoic acid beta-OH Dodecanoate Β-OH dodecanoate Β-OH dodecanoic acid b-OH Laate b-OH Laic acid beta-OH Laate beta-OH Laic acid Β-OH laate Β-OH laic acid 3-Hydroxydodecanoate (RS)-3-Hydroxylaurate (RS)-3-Hydroxylauric acid 11:0(3-OH) 3-Hydroxylaurate 3-Hydroxylauric acid b-Hydroxylaurate b-Hydroxylauric acid beta-Hydroxylaurate DL-b-Hydroxydodecanoate DL-b-Hydroxydodecanoic acid DL-beta-Hydroxydodecanoate DL-beta-Hydroxydodecanoic acid 3-Hydroxydodecanoic acid, (S)-isomer 3-Hydroxydodecanoic acid, (R)-isomer 3-Hydroxydodecanoic acid, ion (1-) 3-Hydroxydodecanoic acid, monosilver (1+) salt, (R)-isomer 3-Hydroxydodecanoic acid, (+-)-isomer 3-Hydroxydodecanoic acid, ion (1-), (+-)-isomer 3-Hydroxydodecanoic acid C12H24O3 216.3172 216.172544634 3-hydroxydodecanoic acid 3-hydroxydodecanoic acid 1883-13-2 CCCCCCCCCC(O)CC(O)=O InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15) MUCMKTPAZLSKTL-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 Hydroxy fatty acids medium-chain fatty acid Solid logp 3.63 ALOGPS logs -2.80 ALOGPS logp 3.25 ChemAxon pka_strongest_acidic 4.67 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxydodecanoic acid ChemAxon average_mass 216.3172 ChemAxon mono_mass 216.172544634 ChemAxon smiles CCCCCCCCCC(O)CC(O)=O ChemAxon formula C12H24O3 ChemAxon inchi InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15) ChemAxon inchikey MUCMKTPAZLSKTL-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 60.2 ChemAxon polarizability 26.59 ChemAxon rotatable_bond_count 10 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::NmrOneD 1351 Specdb::NmrTwoD 1293 Specdb::CMs 1496 Specdb::CMs 19545 Specdb::CMs 31137 Specdb::CMs 37488 Specdb::MsMs 594 Specdb::MsMs 595 Specdb::MsMs 596 Specdb::MsMs 11642 Specdb::MsMs 11643 Specdb::MsMs 11644 Specdb::MsMs 18314 Specdb::MsMs 18315 Specdb::MsMs 18316 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 FDB022005 85026 94216 36206 5376 Iwata, Tsutomu; Iwamoto, Osamu; Sugiyama, Haruhiko. Process for preparing b-hydroxy fatty acid. Eur. Pat. Appl. (1990), 6 pp.