1.0 2020-03-26 07:02:00 UTC 2020-04-22 19:51:07 UTC BMDB0104813 TG(20:3(5Z,8Z,11Z)/24:0/18:2(9Z,12Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-tetracosanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Meadoyl-2-lignoceroyl-3-linoleoyl-glycerol TAG(20:3/24:0/18:2) TAG(62:5) TG(20:3/24:0/18:2) TG(62:5) Tracylglycerol(20:3/24:0/18:2) Tracylglycerol(62:5) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/24:0/18:2(9Z,12Z)) C65H116O6 993.637 992.877191455 (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl tetracosanoate (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl tetracosanoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C65H116O6/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/h18,21,26-27,29,36-37,40,46,49,62H,4-17,19-20,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1 BQCBMKYHSDBIBI-ZGHPNMMCSA-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 10.90 ALOGPS logs -8.22 ALOGPS logp 23.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 993.637 ChemAxon mono_mass 992.877191455 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C65H116O6 ChemAxon inchi InChI=1S/C65H116O6/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/h18,21,26-27,29,36-37,40,46,49,62H,4-17,19-20,22-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b21-18-,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1 ChemAxon inchikey BQCBMKYHSDBIBI-ZGHPNMMCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 311.29 ChemAxon polarizability 132.49 ChemAxon rotatable_bond_count 59 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 226954 Specdb::MsMs 591382 Specdb::MsMs 591383 Specdb::MsMs 591384 Specdb::MsMs 933163 Specdb::MsMs 933164 Specdb::MsMs 933165 Specdb::MsMs 2608641 Specdb::MsMs 2608642 Specdb::MsMs 2608643 Specdb::MsMs 2630315 Specdb::MsMs 2630316 Specdb::MsMs 2630317 Specdb::MsMs 2709119 Specdb::MsMs 2709120 Specdb::MsMs 2709121 Specdb::MsMs 2838918 Specdb::MsMs 2838919 Specdb::MsMs 2838920 Specdb::MsMs 2869818 Specdb::MsMs 2869819 Specdb::MsMs 2869820 131761711