1.0 2020-03-26 12:21:23 UTC 2020-04-22 20:17:08 UTC BMDB0108905 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(11-eicosenoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-a-Linolenoyl-2-eicosenoyl-3-eicsoatetraenoyl-glycerol TAG(18:3/20:1/20:4) TAG(58:8) TG(18:3/20:1/20:4) TG(58:8) Tracylglycerol(18:3/20:1/20:4) Tracylglycerol(58:8) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C61H102O6 931.481 930.767641004 (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C61H102O6/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/h7,9-10,12,16,18-19,21,25-29,32-33,36,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1 MEHHKMFKZCJNLO-WSMRMXITSA-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 10.60 ALOGPS logs -8.26 ALOGPS logp 20.47 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 931.481 ChemAxon mono_mass 930.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C61H102O6 ChemAxon inchi InChI=1S/C61H102O6/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/h7,9-10,12,16,18-19,21,25-29,32-33,36,58H,4-6,8,11,13-15,17,20,22-24,30-31,34-35,37-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,36-33-/t58-/m0/s1 ChemAxon inchikey MEHHKMFKZCJNLO-WSMRMXITSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.23 ChemAxon polarizability 119.32 ChemAxon rotatable_bond_count 52 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 672955 Specdb::MsMs 672956 Specdb::MsMs 672957 Specdb::MsMs 965731 Specdb::MsMs 965732 Specdb::MsMs 965733 Specdb::MsMs 2351284 Specdb::MsMs 2351285 Specdb::MsMs 2351286 Specdb::MsMs 2357103 Specdb::MsMs 2357104 Specdb::MsMs 2357105 Specdb::MsMs 2584076 Specdb::MsMs 2584077 Specdb::MsMs 2584078 Specdb::MsMs 2747461 Specdb::MsMs 2747462 Specdb::MsMs 2747463 Specdb::MsMs 2999746 Specdb::MsMs 2999747 Specdb::MsMs 2999748 131765760