1.0 2020-03-26 03:02:03 UTC 2020-04-22 19:33:27 UTC BMDB0102026 TG(14:1(9Z)/24:0/20:3n6) 1-(9Z-Tetradecenoyl)-2-tetracosanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Myristoleoyl-2-lignoceroyl-3-homo-g-linolenoyl-glycerol TAG(14:1/24:0/20:3) TAG(14:1/24:0/20:3n6) TAG(14:1/24:0/20:3W6) TAG(58:4) TG(14:1/24:0/20:3) TG(14:1/24:0/20:3n6) TG(14:1/24:0/20:3W6) TG(58:4) Tracylglycerol(14:1/24:0/20:3) Tracylglycerol(14:1/24:0/20:3n6) Tracylglycerol(14:1/24:0/20:3W6) Tracylglycerol(58:4) Triacylglycerol Triglyceride 1-Myristoleoyl-2-lignoceroyl-3-dihomo-gamma-linolenoyl-glycerol TG(14:1n5/24:0/20:3n6) TG(14:1W5/24:0/20:3W6) Tag(14:1(9Z)/24:0/20:3(8Z,11Z,14Z)) Tag(14:1n5/24:0/20:3n6) Tag(14:1W5/24:0/20:3W6) Triacylglycerol(14:1(9Z)/24:0/20:3(8Z,11Z,14Z)) Triacylglycerol(14:1/24:0/20:3) Triacylglycerol(14:1n5/24:0/20:3n6) Triacylglycerol(14:1W5/24:0/20:3W6) Triacylglycerol(58:4) TG(14:1(9Z)/24:0/20:3(8Z,11Z,14Z)) TG(14:1(9Z)/24:0/20:3n6) C61H110O6 939.545 938.830241262 (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl tetracosanoate (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,58H,4-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-/t58-/m0/s1 VARKWBYIQXSEHP-DQRLJEGTSA-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 10.84 ALOGPS logs -8.21 ALOGPS logp 21.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 939.545 ChemAxon mono_mass 938.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C61H110O6 ChemAxon inchi InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,34,36,58H,4-14,16,19,21-24,26,28-33,35,37-57H2,1-3H3/b18-15-,20-17-,27-25-,36-34-/t58-/m0/s1 ChemAxon inchikey VARKWBYIQXSEHP-DQRLJEGTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.77 ChemAxon polarizability 124.87 ChemAxon rotatable_bond_count 56 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 642064 Specdb::MsMs 642065 Specdb::MsMs 642066 Specdb::MsMs 953668 Specdb::MsMs 953669 Specdb::MsMs 953670 Specdb::MsMs 2357916 Specdb::MsMs 2357917 Specdb::MsMs 2357918 Specdb::MsMs 2369544 Specdb::MsMs 2369545 Specdb::MsMs 2369546 Specdb::MsMs 2569133 Specdb::MsMs 2569134 Specdb::MsMs 2569135 Specdb::MsMs 2657371 Specdb::MsMs 2657372 Specdb::MsMs 2657373 Specdb::MsMs 2995706 Specdb::MsMs 2995707 Specdb::MsMs 2995708 131758715