1.0 2011-09-21 00:06:19 UTC 2015-10-09 22:33:41 UTC FDB021973 3-Hydroxysebacic acid 3-Hydroxysebacic acid is a normal urinary 3-hydroxydicarboxylic acid metabolite and can be elevated in patients with peroxisomal disorders such as Zellweger syndrome. Marked elevation of urinary 3- Hydroxysebacic acid has also been described in a malnourished infant with glycogen storage disease, mimicking long-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (OMIM 300438, a defect in the beta-oxidation of fatty acids characterized by massive excretion of 3-hydroxydicarboxylic acids in the urine and accumulation of 3-hydroxy fatty acids in serum). (PMID 12860034, 14708889, 8295400) [HMDB] 3-hydroxy-decanedioate 3-hydroxy-decanedioic acid 3-Hydroxydecanedioate 3-Hydroxydecanedioic acid 3-Hydroxysebacate 3-Hydroxysebacic acid C10H18O5 218.2469 218.115423686 3-hydroxydecanedioic acid 3-hydroxysebacic acid 73141-46-5 OC(CCCCCCC(O)=O)CC(O)=O InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) OQYZCCKCJQWHIE-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 0.63 ALOGPS logs -1.81 ALOGPS solubility 3.38e+00 g/l ALOGPS logp 1.04 ChemAxon pka_strongest_acidic 4.45 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxydecanedioic acid ChemAxon average_mass 218.2469 ChemAxon mono_mass 218.115423686 ChemAxon smiles OC(CCCCCCC(O)=O)CC(O)=O ChemAxon formula C10H18O5 ChemAxon inchi InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) ChemAxon inchikey OQYZCCKCJQWHIE-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 52.66 ChemAxon polarizability 23.36 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1283 Specdb::NmrOneD 1341 Specdb::CMs 15705 Specdb::CMs 37454 Specdb::MsMs 561 Specdb::MsMs 562 Specdb::MsMs 563 Specdb::MsMs 300799 Specdb::MsMs 300800 Specdb::MsMs 300801 Specdb::MsMs 343165 Specdb::MsMs 343166 Specdb::MsMs 343167 HMDB00350 #<Reference:0x00007f40f5024fa8> #<Reference:0x00007f40f5024df0> #<Reference:0x00007f40f5024be8> #<Reference:0x00007f40f5024a30> 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