1.0 2020-03-26 12:23:00 UTC 2020-04-22 20:17:16 UTC BMDB0108925 TG(18:3(9Z,12Z,15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(15Z-tetracosanoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-a-Linolenoyl-2-nervonoyl-3-eicsoatetraenoyl-glycerol TAG(18:3/24:1/20:4) TAG(62:8) TG(18:3/24:1/20:4) TG(62:8) Tracylglycerol(18:3/24:1/20:4) Tracylglycerol(62:8) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z)) C65H110O6 987.589 986.830241262 (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,40,62H,4-7,10,13-16,19,22-24,30-35,38-39,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-/t62-/m0/s1 TUFIQUUMQDGOHU-SYHJCJKYSA-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 -8.22 ALOGPS logp 22.25 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 987.589 ChemAxon mono_mass 986.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C65H110O6 ChemAxon inchi InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-29,36-37,40,62H,4-7,10,13-16,19,22-24,30-35,38-39,41-61H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-/t62-/m0/s1 ChemAxon inchikey TUFIQUUMQDGOHU-SYHJCJKYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 314.64 ChemAxon polarizability 127.93 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 584776 Specdb::MsMs 584777 Specdb::MsMs 584778 Specdb::MsMs 930364 Specdb::MsMs 930365 Specdb::MsMs 930366 Specdb::MsMs 2312198 Specdb::MsMs 2312199 Specdb::MsMs 2312200 Specdb::MsMs 2626457 Specdb::MsMs 2626458 Specdb::MsMs 2626459 Specdb::MsMs 2650877 Specdb::MsMs 2650878 Specdb::MsMs 2650879 Specdb::MsMs 2731675 Specdb::MsMs 2731676 Specdb::MsMs 2731677 Specdb::MsMs 2988332 Specdb::MsMs 2988333 Specdb::MsMs 2988334 131765781