1.0 2016-09-30 23:36:29 UTC 2020-05-11 18:31:30 UTC BMDB0007395 BMDB07395 DG(20:1(11Z)/18:3(9Z,12Z,15Z)/0:0) 1-eicosenoyl-2-a-linolenoyl-sn-glycerol DG(38:4) Diglyceride DG(20:1(11Z)/18:3(9Z,12Z,15Z)/0:0) DAG(38:4) Diacylglycerol DG(20:1/18:3) DAG(20:1/18:3) Diacylglycerol(38:4) 1-(11-eicosenoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycerol Diacylglycerol(20:1/18:3) C41H72O5 645.0074 644.537975414 (2S)-3-hydroxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (11Z)-icos-11-enoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,39,42H,3-5,7,9-11,13,15-16,20,22-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-/t39-/m0/s1 TYCOHOSLQWDQAF-PZRRJSEXSA-N belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 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 Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Solid logp 10.10 ALOGPS logs -7.66 ALOGPS logp 13.22 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (11Z)-icos-11-enoate ChemAxon average_mass 645.0074 ChemAxon mono_mass 644.537975414 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C41H72O5 ChemAxon inchi InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,39,42H,3-5,7,9-11,13,15-16,20,22-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-/t39-/m0/s1 ChemAxon inchikey TYCOHOSLQWDQAF-PZRRJSEXSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 199.77 ChemAxon polarizability 82.53 ChemAxon rotatable_bond_count 36 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 634624 Specdb::CMs 634625 Specdb::CMs 793681 Specdb::MsMs 625957 Specdb::MsMs 625958 Specdb::MsMs 625959 Specdb::MsMs 2329599 Specdb::MsMs 2329600 Specdb::MsMs 2329601 Specdb::MsMs 2554393 Specdb::MsMs 2554394 Specdb::MsMs 2554395 Specdb::MsMs 2636692 Specdb::MsMs 2636693 Specdb::MsMs 2636694 Specdb::MsMs 2971365 Specdb::MsMs 2971366 Specdb::MsMs 2971367 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 24766119 53478211