1.0 2011-09-21 00:07:17 UTC 2015-10-09 22:33:41 UTC FDB022029 3-Hydroxydodecanedioic acid 3-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders. Peroxisomal biogenesis disorders (PBDs) are characterized by generalized peroxisomal dysfunction due to defective assembly of the organelle and include the Zellweger, neonatal adrenoleukodystrophy and infantile Refsum phenotypes (PMID 10896310) [HMDB] 3-Hydroxydodecanedioate 3-Hydroxydodecanedioic acid C12H22O5 246.3001 246.146723814 3-hydroxydodecanedioic acid 3-hydroxydodecanedioic acid 34574-69-1 OC(CCCCCCCCC(O)=O)CC(O)=O InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17) FYVQCLGZFXHEGL-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. Medium-chain hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Aliphatic acyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Dicarboxylic acids Solid logp 1.49 ALOGPS logs -2.47 ALOGPS solubility 8.30e-01 g/l ALOGPS logp 1.93 ChemAxon pka_strongest_acidic 4.49 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxydodecanedioic acid ChemAxon average_mass 246.3001 ChemAxon mono_mass 246.146723814 ChemAxon smiles OC(CCCCCCCCC(O)=O)CC(O)=O ChemAxon formula C12H22O5 ChemAxon inchi InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17) ChemAxon inchikey FYVQCLGZFXHEGL-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 61.86 ChemAxon polarizability 27.58 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1360 Specdb::NmrTwoD 1303 Specdb::MsMs 307687 Specdb::MsMs 307688 Specdb::MsMs 307689 Specdb::MsMs 351694 Specdb::MsMs 351695 Specdb::MsMs 351696 Specdb::MsMs 2384117 Specdb::MsMs 2384118 Specdb::MsMs 2384119 Specdb::MsMs 2581932 Specdb::MsMs 2581933 Specdb::MsMs 2581934 Specdb::CMs 18769 Specdb::CMs 37513 Specdb::CMs 171293 Specdb::CMs 1060895 Specdb::CMs 1060897 Specdb::CMs 1060899 Specdb::CMs 1060901 Specdb::CMs 1060903 Specdb::CMs 1060905 Specdb::CMs 1060907 Specdb::CMs 1060908 Specdb::CMs 1060910 Specdb::CMs 1060912 Specdb::CMs 1060914 Specdb::CMs 1060916 Specdb::CMs 1060918 HMDB00413 #<Reference:0x000055ce307a7278> #<Reference:0x000055ce307a70c0> 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