1.0 2020-03-25 21:05:58 UTC 2020-05-21 16:27:42 UTC BMDB0099112 TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0) 1-Hexadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-tetracosanoyl-glycerol 1-Palmitoyl-2-docosapentaenoyl-3-lignoceroyl-glycerol TAG(16:0/22:5/24:0) TAG(62:5) TG(16:0/22:5/24:0) TG(62:5) Tracylglycerol(16:0/22:5/24:0) Tracylglycerol(62:5) Triacylglycerol Triglyceride TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0) C65H116O6 993.637 992.877191455 (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(hexadecanoyloxy)propyl tetracosanoate (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(hexadecanoyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-/t62-/m0/s1 YOGOKTNFFIMTGL-XKKMZILESA-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 10.89 ALOGPS logs -8.22 ALOGPS logp 23.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(hexadecanoyloxy)propyl tetracosanoate ChemAxon average_mass 993.637 ChemAxon mono_mass 992.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C65H116O6 ChemAxon inchi InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,33,36,41,44,62H,4-7,9-10,12-16,18-19,21-25,27,29-32,34-35,37-40,42-43,45-61H2,1-3H3/b11-8-,20-17-,28-26-,36-33-,44-41-/t62-/m0/s1 ChemAxon inchikey YOGOKTNFFIMTGL-XKKMZILESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 311.29 ChemAxon polarizability 132.04 ChemAxon rotatable_bond_count 59 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 602815 Specdb::MsMs 602816 Specdb::MsMs 602817 Specdb::MsMs 937603 Specdb::MsMs 937604 Specdb::MsMs 937605 Specdb::MsMs 2326635 Specdb::MsMs 2326636 Specdb::MsMs 2326637 Specdb::MsMs 2379852 Specdb::MsMs 2379853 Specdb::MsMs 2379854 Specdb::MsMs 2548123 Specdb::MsMs 2548124 Specdb::MsMs 2548125 Specdb::MsMs 2558793 Specdb::MsMs 2558794 Specdb::MsMs 2558795 Specdb::MsMs 2963094 Specdb::MsMs 2963095 Specdb::MsMs 2963096 131755640 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme