1.0 2020-03-26 12:33:52 UTC 2020-04-22 20:18:09 UTC BMDB0109066 TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(9Z-tetradecenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Stearidonoyl-2-myristoleoyl-3-eicosapentaenoyl-glycerol TAG(18:4/14:1/20:5) TAG(52:10) TG(18:4/14:1/20:5) TG(52:10) Tracylglycerol(18:4/14:1/20:5) Tracylglycerol(52:10) Triacylglycerol Triglyceride TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C55H86O6 843.287 842.642440489 (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C55H86O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,33,35-36,39,52H,4-6,9,12-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m0/s1 ZAWOUKKVMCXNET-UXBFCEMNSA-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 9.37 ALOGPS logs -8.04 ALOGPS logp 17.08 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 843.287 ChemAxon mono_mass 842.642440489 ChemAxon smiles [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C55H86O6 ChemAxon inchi InChI=1S/C55H86O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,33,35-36,39,52H,4-6,9,12-14,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m0/s1 ChemAxon inchikey ZAWOUKKVMCXNET-UXBFCEMNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 270.86 ChemAxon polarizability 104.02 ChemAxon rotatable_bond_count 44 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 609076 Specdb::MsMs 609077 Specdb::MsMs 609078 Specdb::MsMs 940198 Specdb::MsMs 940199 Specdb::MsMs 940200 Specdb::MsMs 2411482 Specdb::MsMs 2411483 Specdb::MsMs 2411484 Specdb::MsMs 2550291 Specdb::MsMs 2550292 Specdb::MsMs 2550293 Specdb::MsMs 2609414 Specdb::MsMs 2609415 Specdb::MsMs 2609416 Specdb::MsMs 2707733 Specdb::MsMs 2707734 Specdb::MsMs 2707735 Specdb::MsMs 3088030 Specdb::MsMs 3088031 Specdb::MsMs 3088032 131765922