1.0 2020-03-25 18:19:20 UTC 2020-04-22 19:09:58 UTC BMDB0098310 TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z)) 1-Pentadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(13Z-docosenoyl)-glycerol 1-Pentadecanoyl-2-adrenoyl-3-erucoyl-glycerol TAG(15:0/22:4/22:1) TAG(59:5) TG(15:0/22:4/22:1) TG(59:5) Tracylglycerol(15:0/22:4/22:1) Tracylglycerol(59:5) Triacylglycerol Triglyceride TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:1(13Z)) C62H110O6 951.556 950.830241262 (2S)-1-[(13Z)-docos-13-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-1-[(13Z)-docos-13-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,38,41,59H,4-16,18-19,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,41-38-/t59-/m0/s1 AHJNLNVWZAYRSZ-BBURIIHKSA-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 10.88 ALOGPS logs -8.21 ALOGPS logp 22 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(13Z)-docos-13-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 951.556 ChemAxon mono_mass 950.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C62H110O6 ChemAxon inchi InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,32,34,38,41,59H,4-16,18-19,21-24,29-31,33,35-37,39-40,42-58H2,1-3H3/b20-17-,27-25-,28-26-,34-32-,41-38-/t59-/m0/s1 ChemAxon inchikey AHJNLNVWZAYRSZ-BBURIIHKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.48 ChemAxon polarizability 124.77 ChemAxon rotatable_bond_count 56 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 569203 Specdb::MsMs 569204 Specdb::MsMs 569205 Specdb::MsMs 924157 Specdb::MsMs 924158 Specdb::MsMs 924159 Specdb::MsMs 2448698 Specdb::MsMs 2448699 Specdb::MsMs 2448700 Specdb::MsMs 2486718 Specdb::MsMs 2486719 Specdb::MsMs 2486720 Specdb::MsMs 2560653 Specdb::MsMs 2560654 Specdb::MsMs 2560655 Specdb::MsMs 2766497 Specdb::MsMs 2766498 Specdb::MsMs 2766499 Specdb::MsMs 3030527 Specdb::MsMs 3030528 Specdb::MsMs 3030529 131754701