1.0 2020-03-04 16:56:32 UTC 2020-04-22 16:03:33 UTC BMDB0065124 BMDB65124 DG(a-17:0/21:0/0:0) 1-Anteisoheptadecanoyl-2-heneicosyloyl-sn-glycerol Diacylglycerol(a-17:0/21:0) DAG(38:0) Diacylglycerol(38:0) Diglyceride DG(A-17:0/21:0) DAG(A-17:0/21:0) Diacylglycerol DG(38:0) DG(a-17:0/21:0/0:0) C41H80O5 653.086 652.600575676 (2S)-1-hydroxy-3-[(14-methylhexadecanoyl)oxy]propan-2-yl henicosanoate (2S)-1-hydroxy-3-[(14-methylhexadecanoyl)oxy]propan-2-yl henicosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC InChI=1S/C41H80O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-41(44)46-39(36-42)37-45-40(43)34-31-28-25-22-20-19-21-24-27-30-33-38(3)5-2/h38-39,42H,4-37H2,1-3H3/t38?,39-/m0/s1 BWTGYDPZNFAMMU-RVFUZGKFSA-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 10.50 ALOGPS logs -7.62 ALOGPS logp 14.51 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(14-methylhexadecanoyl)oxy]propan-2-yl henicosanoate ChemAxon average_mass 653.086 ChemAxon mono_mass 652.600575676 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC ChemAxon formula C41H80O5 ChemAxon inchi InChI=1S/C41H80O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-41(44)46-39(36-42)37-45-40(43)34-31-28-25-22-20-19-21-24-27-30-33-38(3)5-2/h38-39,42H,4-37H2,1-3H3/t38?,39-/m0/s1 ChemAxon inchikey BWTGYDPZNFAMMU-RVFUZGKFSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 195.25 ChemAxon polarizability 87.24 ChemAxon rotatable_bond_count 39 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 646814 Specdb::CMs 646815 Specdb::CMs 793894 Specdb::MsMs 568057 Specdb::MsMs 568058 Specdb::MsMs 568059 Specdb::MsMs 2374814 Specdb::MsMs 2374815 Specdb::MsMs 2374816 Specdb::MsMs 2560485 Specdb::MsMs 2560486 Specdb::MsMs 2560487 Specdb::MsMs 2740795 Specdb::MsMs 2740796 Specdb::MsMs 2740797 Specdb::MsMs 2889028 Specdb::MsMs 2889029 Specdb::MsMs 2889030 74858412 FDB065810 131802517