1.0 2020-03-25 17:03:33 UTC 2020-04-22 19:04:10 UTC BMDB0097392 TG(14:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) 1-Myristoyl-2-nervonoyl-3-adrenoyl-glycerol 1-Tetradecanoyl-2-(15Z-tetracosanoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol TAG(14:0/24:1/22:4) TAG(60:5) TG(14:0/24:1/22:4) TG(60:5) Tracylglycerol(14:0/24:1/22:4) Tracylglycerol(60:5) Triacylglycerol Triglyceride TG(14:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) C63H112O6 965.583 964.845891326 (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetradecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetradecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m0/s1 HVJIYFSRIYNDPL-ASSRZALHSA-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 10.90 ALOGPS logs -8.21 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetradecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,32,34,38,41,60H,4-16,18-19,21-23,28-31,33,35-37,39-40,42-59H2,1-3H3/b20-17-,26-24-,27-25-,34-32-,41-38-/t60-/m0/s1 ChemAxon inchikey HVJIYFSRIYNDPL-ASSRZALHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 128.4 ChemAxon rotatable_bond_count 57 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 287053 Specdb::MsMs 287054 Specdb::MsMs 287055 Specdb::MsMs 325807 Specdb::MsMs 325808 Specdb::MsMs 325809 Specdb::MsMs 2646195 Specdb::MsMs 2646196 Specdb::MsMs 2646197 Specdb::MsMs 2693279 Specdb::MsMs 2693280 Specdb::MsMs 2693281 Specdb::MsMs 2986138 Specdb::MsMs 2986139 Specdb::MsMs 2986140 Specdb::MsMs 3036755 Specdb::MsMs 3036756 Specdb::MsMs 3036757 Specdb::MsMs 3105728 Specdb::MsMs 3105729 Specdb::MsMs 3105730 131753639