1.0 2020-03-25 16:53:53 UTC 2020-04-22 19:03:27 UTC BMDB0097279 TG(14:0/18:1(9Z)/20:3(5Z,8Z,11Z)) 1-Myristoyl-2-oleoyl-3-meadoyl-glycerol 1-Tetradecanoyl-2-(9Z-octadecenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol TAG(14:0/18:1/20:3) TAG(52:4) TG(14:0/18:1/20:3) TG(52:4) Tracylglycerol(14:0/18:1/20:3) Tracylglycerol(52:4) Triacylglycerol Triglyceride TG(14:0/18:1(9Z)/20:3(5Z,8Z,11Z)) C55H98O6 855.383 854.736340876 (2S)-2-[(9Z)-octadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-2-[(9Z)-octadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24-26,28-30,36,39,52H,4-23,27,31-35,37-38,40-51H2,1-3H3/b26-24-,28-25-,30-29-,39-36-/t52-/m0/s1 GNAVZABEYUBECY-HOJRBNANSA-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 10.79 ALOGPS logs -8.12 ALOGPS logp 19.25 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-octadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 855.383 ChemAxon mono_mass 854.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C55H98O6 ChemAxon inchi InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24-26,28-30,36,39,52H,4-23,27,31-35,37-38,40-51H2,1-3H3/b26-24-,28-25-,30-29-,39-36-/t52-/m0/s1 ChemAxon inchikey GNAVZABEYUBECY-HOJRBNANSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.16 ChemAxon polarizability 112.43 ChemAxon rotatable_bond_count 50 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 654286 Specdb::MsMs 654287 Specdb::MsMs 654288 Specdb::MsMs 958297 Specdb::MsMs 958298 Specdb::MsMs 958299 Specdb::MsMs 2359460 Specdb::MsMs 2359461 Specdb::MsMs 2359462 Specdb::MsMs 2702721 Specdb::MsMs 2702722 Specdb::MsMs 2702723 Specdb::MsMs 2858744 Specdb::MsMs 2858745 Specdb::MsMs 2858746 Specdb::MsMs 2997548 Specdb::MsMs 2997549 Specdb::MsMs 2997550 Specdb::MsMs 3002140 Specdb::MsMs 3002141 Specdb::MsMs 3002142 131753511