1.0 2020-03-26 04:03:19 UTC 2020-04-22 19:38:09 UTC BMDB0102767 TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6) 1-(9Z-Hexadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Palmitoleoyl-2-meadoyl-3-homo-g-linolenoyl-glycerol TAG(16:1/20:3/20:3) TAG(16:1/20:3/20:3n6) TAG(16:1/20:3/20:3W6) TAG(56:7) TG(16:1/20:3/20:3) TG(16:1/20:3/20:3n6) TG(16:1/20:3/20:3W6) TG(56:7) Tracylglycerol(16:1/20:3/20:3) Tracylglycerol(16:1/20:3/20:3n6) Tracylglycerol(16:1/20:3/20:3W6) Tracylglycerol(56:7) Triacylglycerol Triglyceride 1-Palmitoleoyl-2-meadoyl-3-dihomo-gamma-linolenoyl-glycerol TG(16:1n7/20:3n9/20:3n6) TG(16:1W7/20:3W9/20:3W6) Tag(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) Tag(16:1n7/20:3n9/20:3n6) Tag(16:1W7/20:3W9/20:3W6) Triacylglycerol(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(16:1/20:3/20:3) Triacylglycerol(16:1n7/20:3n9/20:3n6) Triacylglycerol(16:1W7/20:3W9/20:3W6) Triacylglycerol(56:7) TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6) C59H100O6 905.443 904.75199094 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,41,44,56H,4-15,17-18,20,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1 SEDCFZVTDXYLTG-ICEDEMGKSA-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 10.68 ALOGPS logs -8.13 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,41,44,56H,4-15,17-18,20,22-23,29-30,33,36-40,42-43,45-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1 ChemAxon inchikey SEDCFZVTDXYLTG-ICEDEMGKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 116.51 ChemAxon rotatable_bond_count 51 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::CMs 204569 Specdb::MsMs 564895 Specdb::MsMs 564896 Specdb::MsMs 564897 Specdb::MsMs 922465 Specdb::MsMs 922466 Specdb::MsMs 922467 Specdb::MsMs 2347814 Specdb::MsMs 2347815 Specdb::MsMs 2347816 Specdb::MsMs 2593561 Specdb::MsMs 2593562 Specdb::MsMs 2593563 Specdb::MsMs 2693940 Specdb::MsMs 2693941 Specdb::MsMs 2693942 Specdb::MsMs 2820939 Specdb::MsMs 2820940 Specdb::MsMs 2820941 Specdb::MsMs 2858519 Specdb::MsMs 2858520 Specdb::MsMs 2858521 131759503