1.0 2020-03-26 01:26:19 UTC 2020-04-22 19:28:43 UTC BMDB0101279 TG(24:0/18:0/20:4(8Z,11Z,14Z,17Z)) 1-Lignoceroyl-2-stearoyl-3-eicsoatetraenoyl-glycerol 1-Tetracosanoyl-2-octadecanoyl-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol TAG(24:0/18:0/20:4) TAG(62:4) TG(24:0/18:0/20:4) TG(62:4) Tracylglycerol(24:0/18:0/20:4) Tracylglycerol(62:4) Triacylglycerol Triglyceride TG(24:0/18:0/20:4(8Z,11Z,14Z,17Z)) C65H118O6 995.653 994.89284152 (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(octadecanoyloxy)propyl tetracosanoate (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(octadecanoyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,39,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,39-37-/t62-/m1/s1 YBJDBYRRAIFHJE-SCMDRNGYSA-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 -8.23 ALOGPS logp 23.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(octadecanoyloxy)propyl tetracosanoate ChemAxon average_mass 995.653 ChemAxon mono_mass 994.89284152 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C65H118O6 ChemAxon inchi InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37,39,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,38,40-61H2,1-3H3/b11-8-,20-17-,29-26-,39-37-/t62-/m1/s1 ChemAxon inchikey YBJDBYRRAIFHJE-SCMDRNGYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.17 ChemAxon polarizability 133.72 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 571045 Specdb::MsMs 571046 Specdb::MsMs 571047 Specdb::MsMs 924874 Specdb::MsMs 924875 Specdb::MsMs 924876 Specdb::MsMs 2314040 Specdb::MsMs 2314041 Specdb::MsMs 2314042 Specdb::MsMs 2452996 Specdb::MsMs 2452997 Specdb::MsMs 2452998 Specdb::MsMs 2620769 Specdb::MsMs 2620770 Specdb::MsMs 2620771 Specdb::MsMs 2873888 Specdb::MsMs 2873889 Specdb::MsMs 2873890 Specdb::MsMs 2997524 Specdb::MsMs 2997525 Specdb::MsMs 2997526 131757940