1.0 2011-09-21 00:10:43 UTC 2015-10-09 22:31:20 UTC FDB022239 Octadecanedioic acid Octadecanedioic acid is a long-chain dicarboxylic acid normally not found in humans that has been identified in blood serum in Reye's syndrome patients (PMID 3746531) [HMDB] 1,16-Hexadecanedicarboxylate 1,16-Hexadecanedicarboxylic acid 1,18-Octadecanedioate 1,18-Octadecanedioic acid Octadecanedioate Octadecanedioic acid C18H34O4 314.4602 314.245709576 octadecanedioic acid octadecanedioic acid 871-70-5 OC(=O)CCCCCCCCCCCCCCCCC(O)=O InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22) BNJOQKFENDDGSC-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 Solid logp 5.86 ALOGPS logs -5.50 ALOGPS solubility 9.88e-04 g/l ALOGPS logp 5.83 ChemAxon pka_strongest_acidic 4.65 ChemAxon iupac octadecanedioic acid ChemAxon average_mass 314.4602 ChemAxon mono_mass 314.245709576 ChemAxon smiles OC(=O)CCCCCCCCCCCCCCCCC(O)=O ChemAxon formula C18H34O4 ChemAxon inchi InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22) ChemAxon inchikey BNJOQKFENDDGSC-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 87.95 ChemAxon polarizability 39.65 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1483 Specdb::CMs 14854 Specdb::CMs 37760 Specdb::CMs 131497 Specdb::CMs 139231 Specdb::CMs 1076060 Specdb::CMs 1076062 Specdb::CMs 1076064 Specdb::NmrOneD 1538 Specdb::NmrOneD 337008 Specdb::NmrOneD 337009 Specdb::NmrOneD 337010 Specdb::NmrOneD 337011 Specdb::NmrOneD 337012 Specdb::NmrOneD 337013 Specdb::NmrOneD 337014 Specdb::NmrOneD 337015 Specdb::NmrOneD 337016 Specdb::NmrOneD 337017 Specdb::NmrOneD 337018 Specdb::NmrOneD 337019 Specdb::NmrOneD 337020 Specdb::NmrOneD 337021 Specdb::NmrOneD 337022 Specdb::NmrOneD 337023 Specdb::NmrOneD 337024 Specdb::NmrOneD 337025 Specdb::NmrOneD 337026 Specdb::NmrOneD 337027 Specdb::MsMs 1113 Specdb::MsMs 1114 Specdb::MsMs 1115 Specdb::MsMs 298828 Specdb::MsMs 298829 Specdb::MsMs 298830 Specdb::MsMs 340705 Specdb::MsMs 340706 Specdb::MsMs 340707 Specdb::MsMs 439953 Specdb::MsMs 450232 Specdb::MsMs 2255647 Specdb::MsMs 2382650 Specdb::MsMs 2382651 Specdb::MsMs 2382652 Specdb::MsMs 2580126 Specdb::MsMs 2580127 Specdb::MsMs 2580128 HMDB00782 #<Reference:0x00005612719ed098> 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