1.0 2011-09-21 00:10:50 UTC 2019-11-26 03:21:01 UTC FDB022247 Sebacic acid Sebacic acid is a saturated, straight-chain naturally occurring dicarboxylic acid with 10 carbon atoms. Sebacic acid is a normal urinary acid. In patients with multiple acyl-CoA-dehydrogenase deficiency (MADD) or glutaric aciduria type II (GAII) are a group of metabolic disorders due to deficiency of either electron transfer flavoprotein or electron transfer flavoprotein ubiquinone oxidoreductase, biochemical data shows an increase in urine sebacic acid excretion. Sebacic acid is a white flake or powdered crystal slightly soluble in water that has been proposed as an alternative energy substrate in total parenteral nutrition. Sebacic Acid was named from the Latin sebaceus (tallow candle) or sebum (tallow) in reference to its use in the manufacture of candles. Sebacic Acid and its derivatives such as azelaic acid have a variety of industrial uses as plasticizers, lubricants, hydraulic fluids, cosmetics, candles, etc. It is used in the synthesis of polyamide and alkyd resins. It is also used as an intermediate for aromatics, antiseptics and painting materials. (PMID: 10556649, 1738216, 8442769, 12706375) [HMDB] 1,10-Decanedioate 1,10-Decanedioic acid 1,8-Dicarboxyoctane 1,8-Octanedicarboxylate 1,8-Octanedicarboxylic acid 4-oxodecanedioate 4-oxodecanedioic acid 4,7-dioxosebacic acid acide sebacique Decanedicarboxylic acid Decanedioate Decanedioic acid Dicarboxylic acid C10 Ipomic acid n-Decanedioate n-Decanedioic acid Sebacate sebacic acid Sebacic acids Sebacinsaeure Sebacinsaure Seracic acid C10H18O4 202.2475 202.120509064 decanedioic acid sebacic acid 111-20-6 OC(=O)CCCCCCCCC(O)=O InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CXMXRPHRNRROMY-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-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 Medium-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Dicarboxylic acids Dicarboxylic acids alpha,omega-dicarboxylic acid Solid logp 1.93 ALOGPS logs -2.35 ALOGPS solubility 9.12e-01 g/l ALOGPS logp 2.27 ChemAxon pka_strongest_acidic 4.72 ChemAxon iupac decanedioic acid ChemAxon average_mass 202.2475 ChemAxon mono_mass 202.120509064 ChemAxon smiles OC(=O)CCCCCCCCC(O)=O ChemAxon formula C10H18O4 ChemAxon inchi InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) ChemAxon inchikey CXMXRPHRNRROMY-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 51.14 ChemAxon polarizability 22.61 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 981 Specdb::NmrOneD 1544 Specdb::NmrTwoD 1488 Specdb::MsIr 861 Specdb::MsIr 862 Specdb::MsIr 863 Specdb::CMs 647 Specdb::CMs 648 Specdb::CMs 649 Specdb::CMs 1610 Specdb::CMs 8371 Specdb::CMs 30229 Specdb::CMs 30688 Specdb::CMs 30930 Specdb::CMs 31230 Specdb::CMs 37767 Specdb::CMs 145899 Specdb::CMs 1076412 Specdb::CMs 1076414 Specdb::CMs 1076416 Specdb::MsMs 1129 Specdb::MsMs 1130 Specdb::MsMs 1131 Specdb::MsMs 4671 Specdb::MsMs 4672 Specdb::MsMs 4673 Specdb::MsMs 4674 Specdb::MsMs 4675 Specdb::MsMs 4679 Specdb::MsMs 259359 Specdb::MsMs 259360 Specdb::MsMs 259361 Specdb::MsMs 279297 Specdb::MsMs 279298 Specdb::MsMs 279299 Specdb::MsMs 438436 Specdb::MsMs 438437 Specdb::MsMs 438438 Specdb::MsMs 438439 Specdb::MsMs 438440 Specdb::MsMs 438636 Specdb::MsMs 439106 Specdb::MsMs 452101 Specdb::MsMs 2235836 Specdb::MsMs 2237527 HMDB00792 9071 DEC #<Reference:0x00007f4163913da8> #<Reference:0x00007f4163913bf0> #<Reference:0x00007f4163913a10> #<Reference:0x00007f4163913808> #<Reference:0x00007f4163913628> #<Reference:0x00007f41639133f8> #<Reference:0x00007f4163913178> #<Reference:0x00007f4163912f98> 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 Mung bean Type 1 specific Vigna radiata 157791 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 Soy bean Type 1 specific Glycine max 3847 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