1.0 2020-03-25 18:08:27 UTC 2020-04-22 19:09:09 UTC BMDB0098181 TG(15:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) 1-Pentadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Pentadecanoyl-2-g-linolenoyl-3-meadoyl-glycerol TAG(15:0/18:3/20:3) TAG(53:6) TG(15:0/18:3/20:3) TG(53:6) Tracylglycerol(15:0/18:3/20:3) Tracylglycerol(53:6) Triacylglycerol Triglyceride TG(15:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) C56H96O6 865.378 864.720690811 (2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-31,35,37-38,40,53H,4-16,18-19,21-24,28,32-34,36,39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m0/s1 LECMZOZZQBYBAR-LPUOPEFBSA-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 10.68 ALOGPS logs -8.05 ALOGPS logp 18.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 865.378 ChemAxon mono_mass 864.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C56H96O6 ChemAxon inchi InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-31,35,37-38,40,53H,4-16,18-19,21-24,28,32-34,36,39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m0/s1 ChemAxon inchikey LECMZOZZQBYBAR-LPUOPEFBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 270.99 ChemAxon polarizability 112.33 ChemAxon rotatable_bond_count 49 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 200940 Specdb::MsMs 675532 Specdb::MsMs 675533 Specdb::MsMs 675534 Specdb::MsMs 966778 Specdb::MsMs 966779 Specdb::MsMs 966780 Specdb::MsMs 2409523 Specdb::MsMs 2409524 Specdb::MsMs 2409525 Specdb::MsMs 2553658 Specdb::MsMs 2553659 Specdb::MsMs 2553660 Specdb::MsMs 2621990 Specdb::MsMs 2621991 Specdb::MsMs 2621992 Specdb::MsMs 2706602 Specdb::MsMs 2706603 Specdb::MsMs 2706604 Specdb::MsMs 2722548 Specdb::MsMs 2722549 Specdb::MsMs 2722550 131754555