1.0 2011-09-21 00:39:59 UTC 2015-07-21 06:58:00 UTC FDB024108 S-Glutaryldihydrolipoamide S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide succinyltransferase) [EC:2.3.1.61]. [HMDB] S-Glutaryldihydrolipoamide-e C13H23NO4S2 321.456 321.106849609 5-[(7-carbamoyl-3-sulfanylheptyl)sulfanyl]-5-oxopentanoic acid S(8)-glutaryldihydrolipoamide NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O InChI=1S/C13H23NO4S2/c14-11(15)5-2-1-4-10(19)8-9-20-13(18)7-3-6-12(16)17/h10,19H,1-9H2,(H2,14,15)(H,16,17) PWTIHZUSTBSVGF-UHFFFAOYSA-N belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain. Thia fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Alkylthiols Carbonyl compounds Carbothioic S-esters Carboxylic acids Fatty acyl thioesters Fatty amides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Sulfenyl compounds Thioesters Aliphatic acyclic compound Alkylthiol Carbonyl group Carbothioic s-ester Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl thioester Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary carboxylic acid amide Sulfenyl compound Thia fatty acid Thiocarboxylic acid ester Thiocarboxylic acid or derivatives S-substituted dihydrolipoamide Solid logp 2.36 ALOGPS logs -3.87 ALOGPS solubility 4.29e-02 g/l ALOGPS logp 1.51 ChemAxon pka_strongest_acidic 4.14 ChemAxon pka_strongest_basic -0.58 ChemAxon iupac 5-[(7-carbamoyl-3-sulfanylheptyl)sulfanyl]-5-oxopentanoic acid ChemAxon average_mass 321.456 ChemAxon mono_mass 321.106849609 ChemAxon smiles NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O ChemAxon formula C13H23NO4S2 ChemAxon inchi InChI=1S/C13H23NO4S2/c14-11(15)5-2-1-4-10(19)8-9-20-13(18)7-3-6-12(16)17/h10,19H,1-9H2,(H2,14,15)(H,16,17) ChemAxon inchikey PWTIHZUSTBSVGF-UHFFFAOYSA-N ChemAxon polar_surface_area 97.46 ChemAxon refractivity 82.72 ChemAxon polarizability 35.27 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Lysine Degradation SMP00037 map00310 Specdb::CMs 14401 Specdb::CMs 39107 Specdb::CMs 170846 Specdb::MsMs 297784 Specdb::MsMs 297785 Specdb::MsMs 297786 Specdb::MsMs 339400 Specdb::MsMs 339401 Specdb::MsMs 339402 Specdb::MsMs 2825713 Specdb::MsMs 2825714 Specdb::MsMs 2825715 Specdb::MsMs 2856795 Specdb::MsMs 2856796 Specdb::MsMs 2856797 HMDB06832 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 2-oxoglutarate dehydrogenase-like, mitochondrial Q9ULD0 OGDHL 2-oxoglutarate dehydrogenase, mitochondrial Q02218 OGDH Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial P36957 DLST