1.0 2020-03-25 21:31:14 UTC 2020-04-22 19:17:06 UTC BMDB0099440 TG(18:0/20:3(5Z,8Z,11Z)/24:1(15Z)) 1-Octadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Stearoyl-2-meadoyl-3-nervonoyl-glycerol TAG(18:0/20:3/24:1) TAG(62:4) TG(18:0/20:3/24:1) TG(62:4) Tracylglycerol(18:0/20:3/24:1) Tracylglycerol(62:4) Triacylglycerol Triglyceride TG(18:0/20:3(5Z,8Z,11Z)/24:1(15Z)) C65H118O6 995.653 994.89284152 (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(octadecanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(octadecanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,62H,4-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,41-38-,50-47-/t62-/m0/s1 WMLVYIMKKKMXPF-LGCUMSBVSA-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 10.85 ALOGPS logs -8.24 ALOGPS logp 23.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(octadecanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 995.653 ChemAxon mono_mass 994.89284152 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C65H118O6 ChemAxon inchi InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,38,41,47,50,62H,4-24,27,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b28-25-,29-26-,41-38-,50-47-/t62-/m0/s1 ChemAxon inchikey WMLVYIMKKKMXPF-LGCUMSBVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.17 ChemAxon polarizability 134.47 ChemAxon rotatable_bond_count 60 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 586633 Specdb::MsMs 586634 Specdb::MsMs 586635 Specdb::MsMs 931150 Specdb::MsMs 931151 Specdb::MsMs 931152 Specdb::MsMs 2475296 Specdb::MsMs 2475297 Specdb::MsMs 2475298 Specdb::MsMs 2661094 Specdb::MsMs 2661095 Specdb::MsMs 2661096 Specdb::MsMs 2686401 Specdb::MsMs 2686402 Specdb::MsMs 2686403 Specdb::MsMs 2896158 Specdb::MsMs 2896159 Specdb::MsMs 2896160 Specdb::MsMs 2992946 Specdb::MsMs 2992947 Specdb::MsMs 2992948 131756014