1.0 2020-03-26 12:15:34 UTC 2020-04-22 20:16:41 UTC BMDB0108832 TG(22:5(4Z,7Z,10Z,13Z,16Z)/O-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) Tracylglycerol(22:5/18:0/22:5) Triacylglycerol TG(22:5/18:0/22:5) Triglyceride TG(62:10) Tracylglycerol(62:10) TAG(62:10) TAG(22:5/18:0/22:5) 1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-octadecanyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Osbondoyl-2-stearyl-3-osbondoyl-glycerol TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 3-[(4Z,7Z,10Z,13Z,16Z)-Docosa-4,7,10,13,16-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid C65H108O5 969.55 968.819676566 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C65H108O5/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/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50- WQHZHGOXLUMHRH-VMHNXWLRSA-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 10.91 ALOGPS logs -8.28 ALOGPS logp 21.91 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 969.55 ChemAxon mono_mass 968.819676566 ChemAxon smiles [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C65H108O5 ChemAxon inchi InChI=1S/C65H108O5/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/h16-17,19-20,25-26,28-29,33-36,40-41,43-44,49-50,52-53,63H,4-15,18,21-24,27,30-32,37-39,42,45-48,51,54-62H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-,53-50- ChemAxon inchikey WQHZHGOXLUMHRH-VMHNXWLRSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 317.12 ChemAxon polarizability 124.79 ChemAxon rotatable_bond_count 54 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 303622 Specdb::MsMs 303623 Specdb::MsMs 303624 Specdb::MsMs 346603 Specdb::MsMs 346604 Specdb::MsMs 346605 Specdb::MsMs 2474147 Specdb::MsMs 2474148 Specdb::MsMs 2474149 Specdb::MsMs 2491799 Specdb::MsMs 2491800 Specdb::MsMs 2491801 131765684