1.0 2020-03-26 06:18:02 UTC 2020-04-22 19:47:50 UTC BMDB0104297 TG(20:1(11Z)/24:0/18:4(6Z,9Z,12Z,15Z)) 1-(11-Eicosenoyl)-2-tetracosanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Eicosenoyl-2-lignoceroyl-3-stearidonoyl-glycerol TAG(20:1/24:0/18:4) TAG(62:5) TG(20:1/24:0/18:4) TG(62:5) Tracylglycerol(20:1/24:0/18:4) Tracylglycerol(62:5) Triacylglycerol Triglyceride TG(20:1(11Z)/24:0/18:4(6Z,9Z,12Z,15Z)) C65H116O6 993.637 992.877191455 (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl tetracosanoate (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)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/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1 WOSIHMPPLOJNFQ-AWQYANJLSA-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 10.88 ALOGPS logs -8.22 ALOGPS logp 23.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 993.637 ChemAxon mono_mass 992.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)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/h9,12,18,21,26-27,29,36,42,45,62H,4-8,10-11,13-17,19-20,22-25,28,30-35,37-41,43-44,46-61H2,1-3H3/b12-9-,21-18-,29-26-,36-27-,45-42-/t62-/m1/s1 ChemAxon inchikey WOSIHMPPLOJNFQ-AWQYANJLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 311.29 ChemAxon polarizability 132.53 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 221519 Specdb::MsMs 647083 Specdb::MsMs 647084 Specdb::MsMs 647085 Specdb::MsMs 955564 Specdb::MsMs 955565 Specdb::MsMs 955566 Specdb::MsMs 2581881 Specdb::MsMs 2581882 Specdb::MsMs 2581883 Specdb::MsMs 2779876 Specdb::MsMs 2779877 Specdb::MsMs 2779878 Specdb::MsMs 2789904 Specdb::MsMs 2789905 Specdb::MsMs 2789906 Specdb::MsMs 2925115 Specdb::MsMs 2925116 Specdb::MsMs 2925117 Specdb::MsMs 3083250 Specdb::MsMs 3083251 Specdb::MsMs 3083252 131761175