1.0 2020-03-26 11:56:37 UTC 2020-04-22 20:15:09 UTC BMDB0108592 TG(22:4(7Z,10Z,13Z,16Z)/O-18:0/22:4(7Z,10Z,13Z,16Z)) Tracylglycerol(22:4/18:0/22:4) Triacylglycerol 1-Adrenoyl-2-stearyl-3-adrenoyl-glycerol TAG(22:4/18:0/22:4) Triglyceride TG(62:8) TG(22:4/18:0/22:4) TAG(62:8) 1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-octadecanyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol Tracylglycerol(62:8) TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:4(7Z,10Z,13Z,16Z)) 3-[(7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid C65H112O5 973.5818 972.850976694 3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate 3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41- JTHXJKONHRXCIG-WOHGCOHQSA-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 11.06 ALOGPS logs -8.16 ALOGPS logp 22.63 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 973.5818 ChemAxon mono_mass 972.850976694 ChemAxon smiles [H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C65H112O5 ChemAxon inchi InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,63H,4-15,18,21-24,27,30-32,37-39,42,45-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41- ChemAxon inchikey JTHXJKONHRXCIG-WOHGCOHQSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 314.88 ChemAxon polarizability 130.36 ChemAxon rotatable_bond_count 56 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 887887 Specdb::MsMs 887888 Specdb::MsMs 887889 Specdb::MsMs 929539 Specdb::MsMs 929540 Specdb::MsMs 929541 Specdb::MsMs 2827980 Specdb::MsMs 2827981 Specdb::MsMs 2827982 Specdb::MsMs 2850952 Specdb::MsMs 2850953 Specdb::MsMs 2850954 131765445