1.0 2020-03-25 15:46:07 UTC 2020-04-22 18:58:17 UTC BMDB0096463 DG(14:1n5/0:0/22:4n6) (2S)-2-Hydroxy-3-[(5Z)-tetradec-5-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid Diglyceride DAG(14:1W5/0:0/22:4W6) Diacylglycerol(14:1W5/0:0/22:4W6) Diacylglycerol(14:1/0:0/22:4) 1-Myristoleoyl-3-adrenoyl-sn-glycerol DG(36:5) DG(14:1W5/0:0/22:4W6) DAG(14:1N5/0:0/22:4N6) Diacylglycerol(14:1n5/0:0/22:4n6) Diacylglycerol(36:5) DAG(36:5) Diacylglycerol DAG(14:1/0:0/22:4) 1-(9Z-Tetradecenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol DG(14:1/0:0/22:4) DG(14:1n5/0:0/22:4n6) C39H66O5 614.952 614.491025225 (2S)-2-hydroxy-3-[(5Z)-tetradec-5-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-2-hydroxy-3-[(5Z)-tetradec-5-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/CCCCCCCC InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24-25,27,37,40H,3-10,12,14-15,18,21,23,26,28-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,27-25-/t37-/m1/s1 YWYQODJQQTZXGP-XDZXJOEWSA-N belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 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 Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds logp 9.35 ALOGPS logs -7.56 ALOGPS logp 11.97 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-2-hydroxy-3-[(5Z)-tetradec-5-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 614.952 ChemAxon mono_mass 614.491025225 ChemAxon smiles [H][C@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/CCCCCCCC ChemAxon formula C39H66O5 ChemAxon inchi InChI=1S/C39H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24-25,27,37,40H,3-10,12,14-15,18,21,23,26,28-36H2,1-2H3/b13-11-,17-16-,20-19-,24-22-,27-25-/t37-/m1/s1 ChemAxon inchikey YWYQODJQQTZXGP-XDZXJOEWSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 191.69 ChemAxon polarizability 78.68 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 33091 Specdb::CMs 47764 Specdb::CMs 539263 Specdb::CMs 792686 Specdb::MsMs 897745 Specdb::MsMs 897746 Specdb::MsMs 897747 Specdb::MsMs 941836 Specdb::MsMs 941837 Specdb::MsMs 941838 Specdb::MsMs 2671617 Specdb::MsMs 2671618 Specdb::MsMs 2671619 Specdb::MsMs 3009741 Specdb::MsMs 3009742 Specdb::MsMs 3009743 74854506 131801858 FDB098608