1.0 2020-03-25 18:36:27 UTC 2020-04-22 19:11:15 UTC BMDB0098513 TG(15:0/O-18:0/15:0) Triacylglycerol TG(48:0) Triglyceride Tracylglycerol(48:0) Tracylglycerol(15:0/18:0/15:0) 1-Pentadecanoyl-2-stearyl-3-pentadecanoyl-glycerol TG(15:0/18:0/15:0) TAG(48:0) 1-Pentadecanoyl-2-octadecanyl-3-pentadecanoyl-glycerol TAG(15:0/18:0/15:0) TG(15:0/o-18:0/15:0) 2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl pentadecanoic acid C51H100O5 793.3367 792.75707631 2-(octadecyloxy)-3-(pentadecanoyloxy)propyl pentadecanoate 2-(octadecyloxy)-3-(pentadecanoyloxy)propyl pentadecanoate [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2)48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3/h49H,4-48H2,1-3H3 HRTAOZVKLLODHN-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 10.79 ALOGPS logs -7.84 ALOGPS logp 19.3 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(octadecyloxy)-3-(pentadecanoyloxy)propyl pentadecanoate ChemAxon average_mass 793.3367 ChemAxon mono_mass 792.75707631 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C51H100O5 ChemAxon inchi InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2)48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3/h49H,4-48H2,1-3H3 ChemAxon inchikey HRTAOZVKLLODHN-UHFFFAOYSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 241.54 ChemAxon polarizability 109.75 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 3 ChemAxon donor_count 0 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 239999 Specdb::MsMs 324640 Specdb::MsMs 324641 Specdb::MsMs 324642 Specdb::MsMs 373099 Specdb::MsMs 373100 Specdb::MsMs 373101 Specdb::MsMs 2694825 Specdb::MsMs 2694826 Specdb::MsMs 2694827 Specdb::MsMs 2987846 Specdb::MsMs 2987847 Specdb::MsMs 2987848 131754919