1.0 2020-03-25 18:27:07 UTC 2020-05-20 22:34:58 UTC BMDB0098401 TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:0) 1-Pentadecanoyl-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-docosanoyl-glycerol 1-Pentadecanoyl-2-eicsoatetraenoyl-3-behenoyl-glycerol TAG(15:0/20:4/22:0) TAG(57:4) TG(15:0/20:4/22:0) TG(57:4) Tracylglycerol(15:0/20:4/22:0) Tracylglycerol(57:4) Triacylglycerol Triglyceride TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:0) C60H108O6 925.518 924.814591198 (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(pentadecanoyloxy)propyl docosanoate (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(pentadecanoyloxy)propyl docosanoate [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,36,57H,4-7,9-10,12-16,18-19,21-25,27,29-33,35,37-56H2,1-3H3/b11-8-,20-17-,28-26-,36-34-/t57-/m0/s1 HXXSYQOFEKYBNA-WMSSYBOQSA-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 10.87 ALOGPS logs -8.19 ALOGPS logp 21.48 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(pentadecanoyloxy)propyl docosanoate ChemAxon average_mass 925.518 ChemAxon mono_mass 924.814591198 ChemAxon smiles [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C60H108O6 ChemAxon inchi InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,34,36,57H,4-7,9-10,12-16,18-19,21-25,27,29-33,35,37-56H2,1-3H3/b11-8-,20-17-,28-26-,36-34-/t57-/m0/s1 ChemAxon inchikey HXXSYQOFEKYBNA-WMSSYBOQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.17 ChemAxon polarizability 122.62 ChemAxon rotatable_bond_count 55 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 201838 Specdb::MsMs 607879 Specdb::MsMs 607880 Specdb::MsMs 607881 Specdb::MsMs 939709 Specdb::MsMs 939710 Specdb::MsMs 939711 Specdb::MsMs 2390206 Specdb::MsMs 2390207 Specdb::MsMs 2390208 Specdb::MsMs 2433658 Specdb::MsMs 2433659 Specdb::MsMs 2433660 Specdb::MsMs 2782228 Specdb::MsMs 2782229 Specdb::MsMs 2782230 Specdb::MsMs 2856423 Specdb::MsMs 2856424 Specdb::MsMs 2856425 Specdb::MsMs 2927407 Specdb::MsMs 2927408 Specdb::MsMs 2927409 131754809