1.0 2016-09-30 23:21:27 UTC 2020-04-22 15:17:15 UTC BMDB0006318 BMDB06318 Gamma-linolenyl carnitine g-Linolenyl carnitine Γ-linolenyl carnitine 3-[(6Z,9Z,12Z)-Octadeca-6,9,12-trien-1-yloxy]-4-(trimethylazaniumyl)butanoic acid C25H45NO3 407.639 407.339944313 3-[(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-yloxy]-4-(trimethylazaniumyl)butanoate gamma-linolenyl carnitine [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCOC(CC([O-])=O)C[N+](C)(C)C InChI=1S/C25H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-24(22-25(27)28)23-26(2,3)4/h9-10,12-13,15-16,24H,5-8,11,14,17-23H2,1-4H3/b10-9-,13-12-,16-15- ZAYZMIKTJIVRPM-YOILPLPUSA-N belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains. Organic compounds Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Tetraalkylammonium salts Amines Carbonyl compounds Carboxylic acid salts Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organooxygen compound Organopnictogen compound Tetraalkylammonium salt Aliphatic acyclic compounds Solid logp 2.94 ALOGPS logs -7.65 ALOGPS logp 2.22 ChemAxon pka_strongest_acidic 4.51 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-yloxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 407.639 ChemAxon mono_mass 407.339944313 ChemAxon smiles [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCOC(CC([O-])=O)C[N+](C)(C)C ChemAxon formula C25H45NO3 ChemAxon inchi InChI=1S/C25H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-24(22-25(27)28)23-26(2,3)4/h9-10,12-13,15-16,24H,5-8,11,14,17-23H2,1-4H3/b10-9-,13-12-,16-15- ChemAxon inchikey ZAYZMIKTJIVRPM-YOILPLPUSA-N ChemAxon polar_surface_area 49.36 ChemAxon refractivity 149.87 ChemAxon polarizability 50.4 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 3 ChemAxon donor_count 0 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 1235632 Specdb::MsMs 1235633 Specdb::MsMs 1235634 Specdb::MsMs 1351108 Specdb::MsMs 1351109 Specdb::MsMs 1351110