1.0 2020-03-26 01:03:02 UTC 2020-04-22 19:26:58 UTC BMDB0101002 TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0) 1-Behenoyl-2-osbondoyl-3-behenoyl-glycerol Triacylglycerol Tracylglycerol(22:0/22:5/22:0) TAG(22:0/22:5/22:0) TAG(66:5) Triglyceride TG(66:5) Tracylglycerol(66:5) 1-Docosanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-docosanoyl-glycerol TG(22:0/22:5/22:0) TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0) C69H124O6 1049.7193 1048.9397917 1,3-bis(docosanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate 1,3-bis(docosanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,45,48,54,57,66H,4-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,30-27-,39-36-,48-45-,57-54- CROSNRNENYKJOV-OSNZWEOYSA-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 10.88 ALOGPS logs -8.23 ALOGPS logp 25.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(docosanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 1049.7193 ChemAxon mono_mass 1048.9397917 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C69H124O6 ChemAxon inchi InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,36,39,45,48,54,57,66H,4-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b21-18-,30-27-,39-36-,48-45-,57-54- ChemAxon inchikey CROSNRNENYKJOV-OSNZWEOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 329.69 ChemAxon polarizability 140.48 ChemAxon rotatable_bond_count 63 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::CMs 194307 Specdb::MsMs 630568 Specdb::MsMs 630569 Specdb::MsMs 630570 Specdb::MsMs 2297042 Specdb::MsMs 2297043 Specdb::MsMs 2297044 Specdb::MsMs 2326203 Specdb::MsMs 2326204 Specdb::MsMs 2326205 Specdb::MsMs 2642550 Specdb::MsMs 2642551 Specdb::MsMs 2642552 Specdb::MsMs 2899650 Specdb::MsMs 2899651 Specdb::MsMs 2899652 Specdb::MsMs 2964372 Specdb::MsMs 2964373 Specdb::MsMs 2964374 131757675