1.0 2020-03-25 15:36:33 UTC 2020-04-22 18:57:32 UTC BMDB0096345 DG(16:0/0:0/18:3n3) (2R)-3-(Hexadecanoyloxy)-2-hydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid Diacylglycerol(34:3) DG(16:0/0:0/18:3) DAG(16:0/0:0/18:3W3) DAG(16:0/0:0/18:3N3) Diacylglycerol(16:0/0:0/18:3W3) DG(16:0/0:0/18:3W3) Diacylglycerol(16:0/0:0/18:3) 1-Palmitoyl-3-a-linolenoyl-sn-glycerol DAG(16:0/0:0/18:3) DAG(34:3) Diacylglycerol DG(34:3) Diacylglycerol(16:0/0:0/18:3n3) 1-Hexadecanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycerol Diglyceride DG(16:0/0:0/18:3n3) C37H66O5 590.93 590.491025225 (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38H,3-4,6,8-10,12,14-16,19-34H2,1-2H3/b7-5-,13-11-,18-17-/t35-/m1/s1 MYAYLXFSVQLRHH-RGDIWOFYSA-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 1,3-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols 1,3-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 Secondary alcohol Aliphatic acyclic compounds logp 9.78 ALOGPS logs -7.62 ALOGPS logp 11.81 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 590.93 ChemAxon mono_mass 590.491025225 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C37H66O5 ChemAxon inchi InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38H,3-4,6,8-10,12,14-16,19-34H2,1-2H3/b7-5-,13-11-,18-17-/t35-/m1/s1 ChemAxon inchikey MYAYLXFSVQLRHH-RGDIWOFYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 180.25 ChemAxon polarizability 76.37 ChemAxon rotatable_bond_count 33 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::CMs 47736 Specdb::CMs 282884 Specdb::CMs 418975 Specdb::MsMs 1317457 Specdb::MsMs 1317458 Specdb::MsMs 1317459 Specdb::MsMs 1431913 Specdb::MsMs 1431914 Specdb::MsMs 1431915 Specdb::MsMs 2290464 Specdb::MsMs 2290465 Specdb::MsMs 2290466 Specdb::MsMs 2644353 Specdb::MsMs 2644354 Specdb::MsMs 2644355 74854398 131801752 FDB098490