1.0 2020-03-26 07:05:27 UTC 2020-04-22 19:51:22 UTC BMDB0104853 TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(9Z-hexadecenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Meadoyl-2-palmitoleoyl-3-arachidonoyl-glycerol TAG(20:3/16:1/20:4) TAG(56:8) TG(20:3/16:1/20:4) TG(56:8) Tracylglycerol(20:3/16:1/20:4) Tracylglycerol(56:8) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C59H98O6 903.427 902.736340876 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,39-40,42-43,56H,4-15,17-18,20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1 XGVTZQBQTRNHAA-IEKHNBNQSA-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 10.54 ALOGPS logs -8.27 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 903.427 ChemAxon mono_mass 902.736340876 ChemAxon smiles [H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,39-40,42-43,56H,4-15,17-18,20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-/t56-/m1/s1 ChemAxon inchikey XGVTZQBQTRNHAA-IEKHNBNQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 116.05 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 625759 Specdb::MsMs 625760 Specdb::MsMs 625761 Specdb::MsMs 946963 Specdb::MsMs 946964 Specdb::MsMs 946965 Specdb::MsMs 2493596 Specdb::MsMs 2493597 Specdb::MsMs 2493598 Specdb::MsMs 2635300 Specdb::MsMs 2635301 Specdb::MsMs 2635302 Specdb::MsMs 2668852 Specdb::MsMs 2668853 Specdb::MsMs 2668854 Specdb::MsMs 2735666 Specdb::MsMs 2735667 Specdb::MsMs 2735668 Specdb::MsMs 3013799 Specdb::MsMs 3013800 Specdb::MsMs 3013801 131761751