1.0 2020-03-26 07:38:08 UTC 2020-04-22 19:53:49 UTC BMDB0105235 TG(20:3(5Z,8Z,11Z)/O-18:0/18:3(9Z,12Z,15Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-octadecanyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Meadoyl-2-stearyl-3-a-linolenoyl-glycerol TAG(20:3/18:0/18:3) TAG(56:6) TG(20:3/18:0/18:3) TG(56:6) Tracylglycerol(20:3/18:0/18:3) Tracylglycerol(56:6) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/o-18:0/18:3(9Z,12Z,15Z)) (2R)-3-[(9Z,12Z,15Z)-Octadeca-9,12,15-trienoyloxy]-2-(octadecyloxy)propyl (5Z,11Z)-icosa-5,8,11-trienoic acid C59H104O5 893.476 892.788376449 (2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,44-41-/t57-/m1/s1 AZJDANMCNMGQJO-ANJPPHJLSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 11.08 ALOGPS logs -8.13 ALOGPS logp 20.69 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 893.476 ChemAxon mono_mass 892.788376449 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C59H104O5 ChemAxon inchi InChI=1S/C59H104O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,25,27-28,31-32,35,41,44,57H,4-8,10-11,13-17,19-20,22-24,26,29-30,33-34,36-40,42-43,45-56H2,1-3H3/b12-9-,21-18-,28-25-,31-27-,35-32-,44-41-/t57-/m1/s1 ChemAxon inchikey AZJDANMCNMGQJO-ANJPPHJLSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 285.04 ChemAxon polarizability 119.34 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 299737 Specdb::MsMs 299738 Specdb::MsMs 299739 Specdb::MsMs 341830 Specdb::MsMs 341831 Specdb::MsMs 341832 Specdb::MsMs 2797571 Specdb::MsMs 2797572 Specdb::MsMs 2797573 Specdb::MsMs 2880614 Specdb::MsMs 2880615 Specdb::MsMs 2880616 131762133