1.0 2020-03-25 18:20:18 UTC 2020-04-22 19:10:02 UTC BMDB0098321 TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 1-Pentadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Pentadecanoyl-2-adrenoyl-3-stearidonoyl-glycerol TAG(15:0/22:4/18:4) TAG(55:8) TG(15:0/22:4/18:4) TG(55:8) Tracylglycerol(15:0/22:4/18:4) Tracylglycerol(55:8) Triacylglycerol Triglyceride TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C58H96O6 889.4 888.720690811 (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-/t55-/m0/s1 AGDBLCWUBRVZMK-BCOAYGHASA-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 10.41 ALOGPS logs -8.30 ALOGPS logp 19.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 889.4 ChemAxon mono_mass 888.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C58H96O6 ChemAxon inchi InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34,36-37,39,55H,4-7,9-10,12-15,18,21-24,28,32-33,35,38,40-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-/t55-/m0/s1 ChemAxon inchikey AGDBLCWUBRVZMK-BCOAYGHASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.43 ChemAxon polarizability 113.31 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 624973 Specdb::MsMs 624974 Specdb::MsMs 624975 Specdb::MsMs 946618 Specdb::MsMs 946619 Specdb::MsMs 946620 Specdb::MsMs 2312360 Specdb::MsMs 2312361 Specdb::MsMs 2312362 Specdb::MsMs 2327607 Specdb::MsMs 2327608 Specdb::MsMs 2327609 Specdb::MsMs 2634590 Specdb::MsMs 2634591 Specdb::MsMs 2634592 Specdb::MsMs 2915591 Specdb::MsMs 2915592 Specdb::MsMs 2915593 Specdb::MsMs 3057787 Specdb::MsMs 3057788 Specdb::MsMs 3057789 131754712