1.0 2020-03-06 04:00:56 UTC 2020-04-22 17:09:40 UTC BMDB0075562 BMDB75562 TG(10:0/20:0/15:0) 1-decanoyl-2-arachidoyl-3-pentadecanoyl-glycerol TG(45:0) Tag(10:0/20:0/15:0) Tag(45:0) Triacylglycerol(10:0/20:0/15:0) Triacylglycerol(45:0) Triacylglycerol Triglyceride TG(10:0/20:0/15:0) 1-animal fats-2-eicosanoyl-3-pentadecanoyl-glycerol Tracylglycerol(45:0) TG(45:0) Triacylglycerol 1-decanoic acid-2-arachidonyl-3-pentadecanoyl-glycerol Tracylglycerol(10:0/20:0/15:0) TAG(45:0) TAG(10:0/20:0/15:0) C48H92O6 765.258 764.689390682 (2S)-1-(decanoyloxy)-3-(pentadecanoyloxy)propan-2-yl icosanoate (2S)-1-(decanoyloxy)-3-(pentadecanoyloxy)propan-2-yl icosanoate [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C48H92O6/c1-4-7-10-13-16-18-20-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-15-12-9-6-3)44-53-47(50)41-38-35-32-29-27-21-19-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m0/s1 XAYVNMNBKCWMEF-GWHBCOKCSA-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 10.51 ALOGPS logs -7.79 ALOGPS logp 17.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(decanoyloxy)-3-(pentadecanoyloxy)propan-2-yl icosanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-4-7-10-13-16-18-20-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45(43-52-46(49)40-37-34-31-15-12-9-6-3)44-53-47(50)41-38-35-32-29-27-21-19-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m0/s1 ChemAxon inchikey XAYVNMNBKCWMEF-GWHBCOKCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.49 ChemAxon polarizability 102.78 ChemAxon rotatable_bond_count 47 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 244834 Specdb::MsMs 678517 Specdb::MsMs 678518 Specdb::MsMs 678519 Specdb::MsMs 2423947 Specdb::MsMs 2423948 Specdb::MsMs 2423949 Specdb::MsMs 2514331 Specdb::MsMs 2514332 Specdb::MsMs 2514333 Specdb::MsMs 2543987 Specdb::MsMs 2543988 Specdb::MsMs 2543989 Specdb::MsMs 2757258 Specdb::MsMs 2757259 Specdb::MsMs 2757260 Specdb::MsMs 2940056 Specdb::MsMs 2940057 Specdb::MsMs 2940058 FDB044191 131778989