1.0 2020-03-07 15:30:22 UTC 2020-04-22 18:47:12 UTC BMDB0090959 BMDB90959 TG(19:0/8:0/20:0) 1-nonadecanoyl-2-capryloyl-3-eicosanoyl-glycerol Tracylglycerol(19:0/8:0/20:0) Triacylglycerol Triglyceride TG(47:0) 1-nonadecanoyl-2-octanoyl-3-arachidonyl-glycerol TAG(19:0/8:0/20:0) Tracylglycerol(47:0) TAG(47:0) TG(19:0/8:0/20:0) (2S)-3-(Nonadecanoyloxy)-2-(octanoyloxy)propyl icosanoic acid C50H96O6 793.312 792.720690811 (2S)-3-(nonadecanoyloxy)-2-(octanoyloxy)propyl icosanoate (2S)-3-(nonadecanoyloxy)-2-(octanoyloxy)propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC InChI=1S/C50H96O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-38-40-43-49(52)55-46-47(56-50(53)44-41-36-12-9-6-3)45-54-48(51)42-39-37-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m0/s1 DOCHKDCPJRSUNU-MFERNQICSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.62 ALOGPS logs -7.84 ALOGPS logp 18.48 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(nonadecanoyloxy)-2-(octanoyloxy)propyl icosanoate ChemAxon average_mass 793.312 ChemAxon mono_mass 792.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC ChemAxon formula C50H96O6 ChemAxon inchi InChI=1S/C50H96O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-38-40-43-49(52)55-46-47(56-50(53)44-41-36-12-9-6-3)45-54-48(51)42-39-37-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m0/s1 ChemAxon inchikey DOCHKDCPJRSUNU-MFERNQICSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 236.69 ChemAxon polarizability 107.49 ChemAxon rotatable_bond_count 49 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::MsMs 624925 Specdb::MsMs 624926 Specdb::MsMs 624927 Specdb::MsMs 2269420 Specdb::MsMs 2269421 Specdb::MsMs 2269422 Specdb::MsMs 2269714 Specdb::MsMs 2269715 Specdb::MsMs 2269716 Specdb::MsMs 2457392 Specdb::MsMs 2457393 Specdb::MsMs 2457394 Specdb::MsMs 2887151 Specdb::MsMs 2887152 Specdb::MsMs 2887153 Specdb::MsMs 3073464 Specdb::MsMs 3073465 Specdb::MsMs 3073466 FDB081398 74873459 131771536