1.0 2011-09-21 00:07:23 UTC 2015-10-09 22:33:41 UTC FDB022037 2-Hydroxydecanedioic acid 2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344) [HMDB] 2-hydroxy-Decandioate 2-hydroxy-Decandioic acid 2-Hydroxydecanedioate 2-Hydroxydecanedioic acid 2-Hydroxysebacate 2-Hydroxysebacic acid a-Hydroxysebasate a-Hydroxysebasic acid alpha-Hydroxysebasate alpha-Hydroxysebasic acid C10H18O5 218.2469 218.115423686 2-hydroxydecanedioic acid 2-hydroxysebacic acid 103963-71-9 OC(CCCCCCCC(O)=O)C(O)=O InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) LPIOYESQKJFWPQ-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 Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monosaccharides Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-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 Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Dicarboxylic acids Solid logp 0.87 ALOGPS logs -1.95 ALOGPS solubility 2.42e+00 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_acidic 4.16 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxydecanedioic acid ChemAxon average_mass 218.2469 ChemAxon mono_mass 218.115423686 ChemAxon smiles OC(CCCCCCCC(O)=O)C(O)=O ChemAxon formula C10H18O5 ChemAxon inchi InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) ChemAxon inchikey LPIOYESQKJFWPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 52.64 ChemAxon polarizability 23.38 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1308 Specdb::NmrOneD 1364 Specdb::NmrOneD 143850 Specdb::NmrOneD 143851 Specdb::NmrOneD 143852 Specdb::NmrOneD 143853 Specdb::NmrOneD 143854 Specdb::NmrOneD 143855 Specdb::NmrOneD 143856 Specdb::NmrOneD 143857 Specdb::NmrOneD 143858 Specdb::NmrOneD 143859 Specdb::NmrOneD 143860 Specdb::NmrOneD 143861 Specdb::NmrOneD 143862 Specdb::NmrOneD 143863 Specdb::NmrOneD 143864 Specdb::NmrOneD 143865 Specdb::NmrOneD 143866 Specdb::NmrOneD 143867 Specdb::NmrOneD 143868 Specdb::NmrOneD 143869 Specdb::MsMs 58665 Specdb::MsMs 58666 Specdb::MsMs 58667 Specdb::MsMs 114651 Specdb::MsMs 114652 Specdb::MsMs 114653 Specdb::MsMs 2381213 Specdb::MsMs 2381214 Specdb::MsMs 2381215 Specdb::MsMs 2580672 Specdb::MsMs 2580673 Specdb::MsMs 2580674 Specdb::CMs 23586 Specdb::CMs 37523 Specdb::CMs 132763 Specdb::CMs 140497 Specdb::CMs 1061380 Specdb::CMs 1061382 Specdb::CMs 1061384 Specdb::CMs 1061386 Specdb::CMs 1061387 Specdb::CMs 1061389 Specdb::CMs 1061391 Specdb::CMs 1061393 Specdb::CMs 1061395 Specdb::CMs 1061397 Specdb::CMs 1061399 Specdb::CMs 1061401 Specdb::CMs 1061403 HMDB00424 #<Reference:0x000055ac4116c928> #<Reference:0x000055ac4116c478> #<Reference:0x000055ac4116bf50> #<Reference:0x000055ac4116bc08> 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