1.0 2020-03-26 07:21:51 UTC 2020-04-22 19:52:38 UTC BMDB0105047 TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Meadoyl-2-arachidonoyl-3-linoleoyl-glycerol TAG(20:3/20:4/18:2) TAG(58:9) TG(20:3/20:4/18:2) TG(58:9) Tracylglycerol(20:3/20:4/18:2) Tracylglycerol(58:9) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) C61H100O6 929.465 928.75199094 (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [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)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-34,36-37,42-43,45-46,58H,4-16,19,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1 CQFJKNUILLGXPP-DJTCIMETSA-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 10.43 ALOGPS logs -8.31 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 929.465 ChemAxon mono_mass 928.75199094 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)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,32-34,36-37,42-43,45-46,58H,4-16,19,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1 ChemAxon inchikey CQFJKNUILLGXPP-DJTCIMETSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 118.92 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::MsMs 609808 Specdb::MsMs 609809 Specdb::MsMs 609810 Specdb::MsMs 940525 Specdb::MsMs 940526 Specdb::MsMs 940527 Specdb::MsMs 2271159 Specdb::MsMs 2271160 Specdb::MsMs 2271161 Specdb::MsMs 2900034 Specdb::MsMs 2900035 Specdb::MsMs 2900036 Specdb::MsMs 3014887 Specdb::MsMs 3014888 Specdb::MsMs 3014889 Specdb::MsMs 3044758 Specdb::MsMs 3044759 Specdb::MsMs 3044760 Specdb::MsMs 3099445 Specdb::MsMs 3099446 Specdb::MsMs 3099447 131761945