1.0 2020-03-26 12:15:53 UTC 2020-04-22 20:16:42 UTC BMDB0108836 TG(22:5(4Z,7Z,10Z,13Z,16Z)/O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-octadecanyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Osbondoyl-2-stearyl-3-eicosapentaenoyl-glycerol TAG(22:5/18:0/20:5) TAG(60:10) TG(22:5/18:0/20:5) TG(60:10) Tracylglycerol(22:5/18:0/20:5) Tracylglycerol(60:10) Triacylglycerol Triglyceride TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (2R)-3-[(5Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid C63H104O5 941.52 940.788376449 (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-/t61-/m1/s1 PBRYRAXZLMVCBK-GRPMQSFJSA-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 10.79 ALOGPS logs -8.29 ALOGPS logp 21.02 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 941.52 ChemAxon mono_mass 940.788376449 ChemAxon smiles [H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C63H104O5 ChemAxon inchi InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32,34-35,38-39,42,44,47-48,51,61H,4-7,9-10,12-15,18,21-24,27,30-31,33,36-37,40-41,43,45-46,49-50,52-60H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,38-35-,42-39-,47-44-,51-48-/t61-/m1/s1 ChemAxon inchikey PBRYRAXZLMVCBK-GRPMQSFJSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 307.91 ChemAxon polarizability 121.08 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 350614 Specdb::MsMs 350615 Specdb::MsMs 350616 Specdb::MsMs 907084 Specdb::MsMs 907085 Specdb::MsMs 907086 Specdb::MsMs 2788069 Specdb::MsMs 2788070 Specdb::MsMs 2788071 Specdb::MsMs 2918390 Specdb::MsMs 2918391 Specdb::MsMs 2918392 131765688