1.0 2020-03-25 18:01:10 UTC 2020-04-22 19:08:35 UTC BMDB0098092 TG(15:0/20:3(5Z,8Z,11Z)/18:1(9Z)) 1-Pentadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(9Z-octadecenoyl)-glycerol 1-Pentadecanoyl-2-meadoyl-3-oleoyl-glycerol TAG(15:0/20:3/18:1) TAG(53:4) TG(15:0/20:3/18:1) TG(53:4) Tracylglycerol(15:0/20:3/18:1) Tracylglycerol(53:4) Triacylglycerol Triglyceride TG(15:0/20:3(5Z,8Z,11Z)/18:1(9Z)) C56H100O6 869.41 868.75199094 (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,38,41,53H,4-24,28,31,33-37,39-40,42-52H2,1-3H3/b27-25-,29-26-,32-30-,41-38-/t53-/m0/s1 WHIGDIDRVWRWKI-QAYVGNLSSA-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 10.82 ALOGPS logs -8.12 ALOGPS logp 19.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 869.41 ChemAxon mono_mass 868.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C56H100O6 ChemAxon inchi InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,38,41,53H,4-24,28,31,33-37,39-40,42-52H2,1-3H3/b27-25-,29-26-,32-30-,41-38-/t53-/m0/s1 ChemAxon inchikey WHIGDIDRVWRWKI-QAYVGNLSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 268.76 ChemAxon polarizability 115.14 ChemAxon rotatable_bond_count 51 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 212679 Specdb::MsMs 643441 Specdb::MsMs 643442 Specdb::MsMs 643443 Specdb::MsMs 954196 Specdb::MsMs 954197 Specdb::MsMs 954198 Specdb::MsMs 2646120 Specdb::MsMs 2646121 Specdb::MsMs 2646122 Specdb::MsMs 2742085 Specdb::MsMs 2742086 Specdb::MsMs 2742087 Specdb::MsMs 2846177 Specdb::MsMs 2846178 Specdb::MsMs 2846179 Specdb::MsMs 2939333 Specdb::MsMs 2939334 Specdb::MsMs 2939335 Specdb::MsMs 3105524 Specdb::MsMs 3105525 Specdb::MsMs 3105526 131754439