1.0 2020-03-26 10:27:54 UTC 2020-04-22 20:07:56 UTC BMDB0107454 TG(20:3n6/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(9Z-tetradecenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Homo-g-linolenoyl-2-myristoleoyl-3-docosapentaenoyl-glycerol TAG(20:3/14:1/22:5) TAG(20:3n6/14:1/22:5) TAG(20:3W6/14:1/22:5) TAG(56:9) TG(20:3/14:1/22:5) TG(20:3n6/14:1/22:5) TG(20:3W6/14:1/22:5) TG(56:9) Tracylglycerol(20:3/14:1/22:5) Tracylglycerol(20:3n6/14:1/22:5) Tracylglycerol(20:3W6/14:1/22:5) Tracylglycerol(56:9) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-myristoleoyl-3-clupanodonoyl-glycerol TG(20:3n6/14:1n5/22:5n3) TG(20:3W6/14:1W5/22:5W3) Tag(20:3(8Z,11Z,14Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Tag(20:3n6/14:1n5/22:5n3) Tag(20:3W6/14:1W5/22:5W3) Triacylglycerol(20:3(8Z,11Z,14Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Triacylglycerol(20:3/14:1/22:5) Triacylglycerol(20:3n6/14:1n5/22:5n3) Triacylglycerol(20:3W6/14:1W5/22:5W3) Triacylglycerol(56:9) TG(20:3(8Z,11Z,14Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) TG(20:3n6/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H96O6 901.411 900.720690811 (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1 FPSHTYJHVSXLOR-MOHFFBQJSA-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 10.20 ALOGPS logs -8.27 ALOGPS logp 19.22 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 901.411 ChemAxon mono_mass 900.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C59H96O6 ChemAxon inchi InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31-32,34-35,38,56H,4-6,8-9,11-14,21-23,28,30,33,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1 ChemAxon inchikey FPSHTYJHVSXLOR-MOHFFBQJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 288.15 ChemAxon polarizability 113.99 ChemAxon rotatable_bond_count 49 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 195518 Specdb::MsMs 575911 Specdb::MsMs 575912 Specdb::MsMs 575913 Specdb::MsMs 926866 Specdb::MsMs 926867 Specdb::MsMs 926868 Specdb::MsMs 2485575 Specdb::MsMs 2485576 Specdb::MsMs 2485577 Specdb::MsMs 2584040 Specdb::MsMs 2584041 Specdb::MsMs 2584042 Specdb::MsMs 2801104 Specdb::MsMs 2801105 Specdb::MsMs 2801106 Specdb::MsMs 2837184 Specdb::MsMs 2837185 Specdb::MsMs 2837186 Specdb::MsMs 2867949 Specdb::MsMs 2867950 Specdb::MsMs 2867951 131764384