1.0 2011-09-21 00:22:27 UTC 2015-10-09 22:31:56 UTC FDB022963 1,11-Undecanedicarboxylic acid Undecanedicarboxylic acid is an unusual odd-numbered dicarboxylic acid that appears in the urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome, as an additional marker of these peroxisomal disorders. (PMID: 2943344) [HMDB] 1,11-Undecanedicarboxylate 1,13-Tridecanedioate 1,13-Tridecanedioic acid Brassilate Brassilic acid Brassylate Brassylic acid Tridecanedioate Tridecanedioic acid Undecane-1,11-dicarboxylate Undecane-1,11-dicarboxylic acid C13H24O4 244.3273 244.167459256 tridecanedioic acid brassylic acid 505-52-2 OC(=O)CCCCCCCCCCCC(O)=O InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) DXNCZXXFRKPEPY-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Long-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Dicarboxylic acids alpha,omega-dicarboxylic acid Solid logp 3.31 ALOGPS logs -3.33 ALOGPS solubility 1.14e-01 g/l ALOGPS logp 3.6 ChemAxon pka_strongest_acidic 4.65 ChemAxon iupac tridecanedioic acid ChemAxon average_mass 244.3273 ChemAxon mono_mass 244.167459256 ChemAxon smiles OC(=O)CCCCCCCCCCCC(O)=O ChemAxon formula C13H24O4 ChemAxon inchi InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) ChemAxon inchikey DXNCZXXFRKPEPY-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 64.95 ChemAxon polarizability 28.96 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1811 Specdb::CMs 14885 Specdb::CMs 38366 Specdb::CMs 165290 Specdb::NmrOneD 1874 Specdb::NmrOneD 341808 Specdb::NmrOneD 341809 Specdb::NmrOneD 341810 Specdb::NmrOneD 341811 Specdb::NmrOneD 341812 Specdb::NmrOneD 341813 Specdb::NmrOneD 341814 Specdb::NmrOneD 341815 Specdb::NmrOneD 341816 Specdb::NmrOneD 341817 Specdb::NmrOneD 341818 Specdb::NmrOneD 341819 Specdb::NmrOneD 341820 Specdb::NmrOneD 341821 Specdb::NmrOneD 341822 Specdb::NmrOneD 341823 Specdb::NmrOneD 341824 Specdb::NmrOneD 341825 Specdb::NmrOneD 341826 Specdb::NmrOneD 341827 Specdb::MsMs 2058 Specdb::MsMs 2059 Specdb::MsMs 2060 Specdb::MsMs 298924 Specdb::MsMs 298925 Specdb::MsMs 298926 Specdb::MsMs 340819 Specdb::MsMs 340820 Specdb::MsMs 340821 Specdb::MsMs 2243982 Specdb::MsMs 2246093 Specdb::MsMs 2246175 Specdb::MsMs 2248128 Specdb::MsMs 2250088 Specdb::MsMs 2252148 Specdb::MsMs 2339430 Specdb::MsMs 2339431 Specdb::MsMs 2339432 Specdb::MsMs 2626070 Specdb::MsMs 2626071 Specdb::MsMs 2626072 HMDB02327 #<Reference:0x000055ce32adae20> 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