1.0 2020-03-04 16:59:49 UTC 2020-04-22 16:04:44 UTC BMDB0065311 BMDB65311 DG(i-19:0/i-15:0/0:0) 1-Isononadecanoyl-2-isopentadecanoyl-sn-glycerol DAG(I-19:0/I-15:0) DG(I-19:0/I-15:0) Diglyceride Diacylglycerol DG(34:0) Diacylglycerol(i-19:0/i-15:0) DAG(34:0) Diacylglycerol(34:0) DG(i-19:0/i-15:0/0:0) C37H72O5 596.978 596.537975418 (2S)-3-hydroxy-2-[(13-methyltetradecanoyl)oxy]propyl 17-methyloctadecanoate (2S)-3-hydroxy-2-[(13-methyltetradecanoyl)oxy]propyl 17-methyloctadecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C InChI=1S/C37H72O5/c1-33(2)27-23-19-15-11-8-6-5-7-9-13-17-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-18-14-10-12-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m0/s1 FGJZNGLQHTXUFQ-DHUJRADRSA-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 logp 9.81 ALOGPS logs -7.50 ALOGPS logp 12.58 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(13-methyltetradecanoyl)oxy]propyl 17-methyloctadecanoate ChemAxon average_mass 596.978 ChemAxon mono_mass 596.537975418 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C ChemAxon formula C37H72O5 ChemAxon inchi InChI=1S/C37H72O5/c1-33(2)27-23-19-15-11-8-6-5-7-9-13-17-21-25-29-36(39)41-32-35(31-38)42-37(40)30-26-22-18-14-10-12-16-20-24-28-34(3)4/h33-35,38H,5-32H2,1-4H3/t35-/m0/s1 ChemAxon inchikey FGJZNGLQHTXUFQ-DHUJRADRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 176.8 ChemAxon polarizability 78.61 ChemAxon rotatable_bond_count 34 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 642319 Specdb::MsMs 642320 Specdb::MsMs 642321 Specdb::MsMs 2271498 Specdb::MsMs 2271499 Specdb::MsMs 2271500 Specdb::MsMs 2334811 Specdb::MsMs 2334812 Specdb::MsMs 2334813 Specdb::MsMs 3067199 Specdb::MsMs 3067200 Specdb::MsMs 3067201 Specdb::MsMs 3111668 Specdb::MsMs 3111669 Specdb::MsMs 3111670 Specdb::CMs 50077 Specdb::CMs 456439 Specdb::CMs 791977 74858503 FDB065995 131802605