1.0 2020-03-04 17:04:43 UTC 2020-05-21 16:29:18 UTC BMDB0065592 BMDB65592 DG(a-21:0/17:0/0:0) 1-anteisoheneicosanoyl-2-margaroyl-sn-glycerol DG(a-21:0/17:0) DG(38:0) Dag(a-21:0/17:0) Dag(38:0) Diacylglycerol(a-21:0/17:0) Diacylglycerol(38:0) Diacylglycerol Diglyceride DG(a-21:0/17:0/0:0) 1-anteisoheneicosanoyl-2-heptadecanoyl-sn-glycerol (2S)-2-(Heptadecanoyloxy)-3-hydroxypropyl 18-methylicosanoic acid C41H80O5 653.086 652.600575676 (2S)-2-(heptadecanoyloxy)-3-hydroxypropyl 18-methylicosanoate (2S)-2-(heptadecanoyloxy)-3-hydroxypropyl 18-methylicosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC InChI=1S/C41H80O5/c1-4-6-7-8-9-10-11-12-16-20-23-26-29-32-35-41(44)46-39(36-42)37-45-40(43)34-31-28-25-22-19-17-14-13-15-18-21-24-27-30-33-38(3)5-2/h38-39,42H,4-37H2,1-3H3/t38?,39-/m0/s1 QBDCQWPSAREVEA-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)-2-(heptadecanoyloxy)-3-hydroxypropyl 18-methylicosanoate ChemAxon average_mass 653.086 ChemAxon mono_mass 652.600575676 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC ChemAxon formula C41H80O5 ChemAxon inchi InChI=1S/C41H80O5/c1-4-6-7-8-9-10-11-12-16-20-23-26-29-32-35-41(44)46-39(36-42)37-45-40(43)34-31-28-25-22-19-17-14-13-15-18-21-24-27-30-33-38(3)5-2/h38-39,42H,4-37H2,1-3H3/t38?,39-/m0/s1 ChemAxon inchikey QBDCQWPSAREVEA-RVFUZGKFSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 195.25 ChemAxon polarizability 87.3 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 646892 Specdb::CMs 646893 Specdb::CMs 793933 Specdb::MsMs 625273 Specdb::MsMs 625274 Specdb::MsMs 625275 Specdb::MsMs 2397036 Specdb::MsMs 2397037 Specdb::MsMs 2397038 Specdb::MsMs 2408555 Specdb::MsMs 2408556 Specdb::MsMs 2408557 Specdb::MsMs 2440861 Specdb::MsMs 2440862 Specdb::MsMs 2440863 Specdb::MsMs 2554255 Specdb::MsMs 2554256 Specdb::MsMs 2554257 FDB066277 74858639 131802741 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme