1.0 2016-09-30 23:36:54 UTC 2020-05-11 18:31:48 UTC BMDB0007416 BMDB07416 DG(20:2(11Z,14Z)/15:0/0:0) Diacylglycerol(20:2/15:0) DAG(20:2/15:0) DG(20:2/15:0) Diacylglycerol(35:2) Diglyceride DG(35:2) Diacylglycerol 1-Eicosadienoyl-2-pentadecanoyl-sn-glycerol 1-(11Z,14Z-Eicosadienoyl)-2-pentadecanoyl-sn-glycerol DAG(35:2) DG(20:2(11Z,14Z)/15:0/0:0) C38H70O5 606.9594 606.52232535 (2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,36,39H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-/m0/s1 HDCDNPHAUKTJQG-LCEPSDQBSA-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 10.14 ALOGPS logs -7.67 ALOGPS logp 12.61 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate ChemAxon average_mass 606.9594 ChemAxon mono_mass 606.52232535 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C38H70O5 ChemAxon inchi InChI=1S/C38H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,36,39H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-/m0/s1 ChemAxon inchikey HDCDNPHAUKTJQG-LCEPSDQBSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 183.74 ChemAxon polarizability 78.8 ChemAxon rotatable_bond_count 35 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 39362 Specdb::CMs 480481 Specdb::CMs 792252 Specdb::MsMs 663958 Specdb::MsMs 663959 Specdb::MsMs 663960 Specdb::MsMs 2399364 Specdb::MsMs 2399365 Specdb::MsMs 2399366 Specdb::MsMs 2415487 Specdb::MsMs 2415488 Specdb::MsMs 2415489 Specdb::MsMs 2462757 Specdb::MsMs 2462758 Specdb::MsMs 2462759 Specdb::MsMs 2536394 Specdb::MsMs 2536395 Specdb::MsMs 2536396 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 53478221 FDB024609