1.0 2016-09-30 23:27:00 UTC 2020-04-22 15:18:53 UTC BMDB0006869 BMDB06869 S-(2-Methylbutanoyl)-dihydrolipoamide 8-{[(2R)-2-methylbutanoyl]sulfanyl}-6-sulfanyloctanimidate 8-{[(2R)-2-methylbutanoyl]sulphanyl}-6-sulphanyloctanimidate 8-{[(2R)-2-methylbutanoyl]sulphanyl}-6-sulphanyloctanimidic acid C13H25NO2S2 291.47 291.132671397 8-{[(2R)-2-methylbutanoyl]sulfanyl}-6-sulfanyloctanimidic acid 8-{[(2R)-2-methylbutanoyl]sulfanyl}-6-sulfanyloctanimidic acid [H][C@@](C)(CC)C(=O)SCCC([H])(S)CCCCC(O)=N InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)/t10-,11?/m1/s1 UFNCWFSSEGPJNL-NFJWQWPMSA-N belongs to the class of organic compounds known as fatty acyl thioesters. These are thioester derivatives of a fatty acid with the general formula RC(=O)SR', where R is the fatty acyl chain. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters Fatty acyl thioesters Alkylthiols Carbonyl compounds Carbothioic S-esters Carboximidic acids Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Sulfenyl compounds Thioesters Aliphatic acyclic compound Alkylthiol Carbonyl group Carbothioic s-ester Carboximidic acid Carboximidic acid derivative Carboxylic acid derivative Fatty acyl thioester Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Aliphatic acyclic compounds Solid logp 4.05 ALOGPS logs -4.30 ALOGPS logp 1.1 ChemAxon pka_strongest_acidic -0.011 ChemAxon pka_strongest_basic 13.25 ChemAxon iupac 8-{[(2R)-2-methylbutanoyl]sulfanyl}-6-sulfanyloctanimidic acid ChemAxon average_mass 291.47 ChemAxon mono_mass 291.132671397 ChemAxon smiles [H][C@@](C)(CC)C(=O)SCCC([H])(S)CCCCC(O)=N ChemAxon formula C13H25NO2S2 ChemAxon inchi InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)/t10-,11?/m1/s1 ChemAxon inchikey UFNCWFSSEGPJNL-NFJWQWPMSA-N ChemAxon polar_surface_area 61.15 ChemAxon refractivity 91.97 ChemAxon polarizability 34.18 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1325053 Specdb::MsMs 1325054 Specdb::MsMs 1325055 Specdb::MsMs 1439404 Specdb::MsMs 1439405 Specdb::MsMs 1439406