1.0 2020-03-25 17:41:13 UTC 2020-04-22 19:07:01 UTC BMDB0097845 TG(15:0/15:0/15:0) 1,2,3-Propanetriyl tripentadecanoate, 9ci 1-Pentadecanoyl-2-pentadecanoyl-3-pentadecanoyl-glycerol Glycerol tripentadecanoate TAG(15:0/15:0/15:0) TAG(45:0) TG(45:0) Tracylglycerol(15:0/15:0/15:0) Tracylglycerol(45:0) Triacylglycerol Triglyceride Tripentadecanoin, 8ci TG(15:0/15:0/15:0) C48H92O6 765.2405 764.689390676 1,3-bis(pentadecanoyloxy)propan-2-yl pentadecanoate 1,3-bis(pentadecanoyloxy)propan-2-yl pentadecanoate 30719-27-8 [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3 CLJLWABDLPQTHL-UHFFFAOYSA-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 Triacylglycerols logp 10.49 ALOGPS logs -7.79 ALOGPS logp 17.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(pentadecanoyloxy)propan-2-yl pentadecanoate ChemAxon average_mass 765.2405 ChemAxon mono_mass 764.689390676 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3 ChemAxon inchikey CLJLWABDLPQTHL-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.49 ChemAxon polarizability 103.32 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::MsMs 619987 Specdb::MsMs 619988 Specdb::MsMs 619989 Specdb::MsMs 2577468 Specdb::MsMs 2577469 Specdb::MsMs 2577470 Specdb::MsMs 2608929 Specdb::MsMs 2608930 Specdb::MsMs 2608931 Specdb::MsMs 2709020 Specdb::MsMs 2709021 Specdb::MsMs 2709022 Specdb::MsMs 2765006 Specdb::MsMs 2765007 Specdb::MsMs 2765008 Specdb::MsMs 2943841 Specdb::MsMs 2943842 Specdb::MsMs 2943843 3496974 4290702 FDB003116