1.0 2020-03-26 06:54:01 UTC 2020-04-22 19:50:32 UTC BMDB0104723 TG(20:3(5Z,8Z,11Z)/15:0/18:2(9Z,12Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-pentadecanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Meadoyl-2-pentadecanoyl-3-linoleoyl-glycerol TAG(20:3/15:0/18:2) TAG(53:5) TG(20:3/15:0/18:2) TG(53:5) Tracylglycerol(20:3/15:0/18:2) Tracylglycerol(53:5) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/15:0/18:2(9Z,12Z)) C56H98O6 867.394 866.736340876 (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [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)CCCCCCCCCCCCCC InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,37,40,53H,4-16,18-19,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,40-37-/t53-/m1/s1 BHBVRCHRSFLCMF-XPGLDXLWSA-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 10.77 ALOGPS logs -8.14 ALOGPS logp 19.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 867.394 ChemAxon mono_mass 866.736340876 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)CCCCCCCCCCCCCC ChemAxon formula C56H98O6 ChemAxon inchi InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32,37,40,53H,4-16,18-19,21-24,28,31,33-36,38-39,41-52H2,1-3H3/b20-17-,27-25-,29-26-,32-30-,40-37-/t53-/m1/s1 ChemAxon inchikey BHBVRCHRSFLCMF-XPGLDXLWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 269.88 ChemAxon polarizability 112.98 ChemAxon rotatable_bond_count 50 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 223315 Specdb::MsMs 680695 Specdb::MsMs 680696 Specdb::MsMs 680697 Specdb::MsMs 968881 Specdb::MsMs 968882 Specdb::MsMs 968883 Specdb::MsMs 2412109 Specdb::MsMs 2412110 Specdb::MsMs 2412111 Specdb::MsMs 2539403 Specdb::MsMs 2539404 Specdb::MsMs 2539405 Specdb::MsMs 2550860 Specdb::MsMs 2550861 Specdb::MsMs 2550862 Specdb::MsMs 2747044 Specdb::MsMs 2747045 Specdb::MsMs 2747046 Specdb::MsMs 2830960 Specdb::MsMs 2830961 Specdb::MsMs 2830962 131761621