1.0 2016-09-30 23:35:10 UTC 2020-05-11 18:30:35 UTC BMDB0007329 BMDB07329 DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0) 1-Stearidonoyl-2-pentadecanoyl-sn-glycerol DAG(18:4/15:0) DAG(18:4N3/15:0) DAG(18:4W3/15:0) DAG(33:4) DG(18:4/15:0) DG(18:4N3/15:0) DG(18:4W3/15:0) DG(33:4) Diacylglycerol Diacylglycerol(18:4/15:0) Diacylglycerol(18:4n3/15:0) Diacylglycerol(18:4W3/15:0) Diacylglycerol(33:4) Diglyceride 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-pentadecanoyl-sn-glycerol DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0) C36H62O5 574.8745 574.459725094 (2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate diacylglycerol [H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21-22,34,37H,3-4,6,8-10,12,14-16,19-20,23-33H2,1-2H3/b7-5-,13-11-,18-17-,22-21-/t34-/m0/s1 DQQBTKPFMLVCPZ-SHGZRWORSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Lineolic acids and derivatives 1,2-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols 1,2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diacylglycerol Dicarboxylic acid or derivatives Diradylglycerol Fatty acid ester Glycerolipid Hydrocarbon derivative Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Solid logp 9.15 ALOGPS logs -7.41 ALOGPS logp 11 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 574.8745 ChemAxon mono_mass 574.459725094 ChemAxon smiles [H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C36H62O5 ChemAxon inchi InChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(38)40-33-34(32-37)41-36(39)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21-22,34,37H,3-4,6,8-10,12,14-16,19-20,23-33H2,1-2H3/b7-5-,13-11-,18-17-,22-21-/t34-/m0/s1 ChemAxon inchikey DQQBTKPFMLVCPZ-SHGZRWORSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 176.77 ChemAxon polarizability 72.04 ChemAxon rotatable_bond_count 31 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 684394 Specdb::MsMs 684395 Specdb::MsMs 684396 Specdb::MsMs 2287048 Specdb::MsMs 2287049 Specdb::MsMs 2287050 Specdb::MsMs 2647878 Specdb::MsMs 2647879 Specdb::MsMs 2647880 Specdb::MsMs 2687816 Specdb::MsMs 2687817 Specdb::MsMs 2687818 Specdb::MsMs 2690318 Specdb::MsMs 2690319 Specdb::MsMs 2690320 Specdb::CMs 39340 Specdb::CMs 282422 Specdb::CMs 373356 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 24766066 53478158 FDB024522