1.0 2020-03-26 03:28:48 UTC 2020-05-21 16:27:29 UTC BMDB0102354 TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(9Z-Tetradecenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Myristoleoyl-2-adrenoyl-3-docosapentaenoyl-glycerol TAG(14:1/22:4/22:5) TAG(58:10) TG(14:1/22:4/22:5) TG(58:10) Tracylglycerol(14:1/22:4/22:5) Tracylglycerol(58:10) Triacylglycerol Triglyceride TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H98O6 927.449 926.736340876 (2S)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1 OSLIOJBFXMGZQO-VWMHFGBNSA-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 10.11 ALOGPS logs -8.24 ALOGPS logp 19.75 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 927.449 ChemAxon mono_mass 926.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C61H98O6 ChemAxon inchi InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,36-37,39-40,58H,4-6,8-9,11-14,21-23,28-29,34-35,38,41-57H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1 ChemAxon inchikey OSLIOJBFXMGZQO-VWMHFGBNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.47 ChemAxon polarizability 116.49 ChemAxon rotatable_bond_count 50 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 236712 Specdb::MsMs 575500 Specdb::MsMs 575501 Specdb::MsMs 575502 Specdb::MsMs 926707 Specdb::MsMs 926708 Specdb::MsMs 926709 Specdb::MsMs 2325210 Specdb::MsMs 2325211 Specdb::MsMs 2325212 Specdb::MsMs 2341026 Specdb::MsMs 2341027 Specdb::MsMs 2341028 Specdb::MsMs 2471916 Specdb::MsMs 2471917 Specdb::MsMs 2471918 Specdb::MsMs 2593900 Specdb::MsMs 2593901 Specdb::MsMs 2593902 Specdb::MsMs 2961234 Specdb::MsMs 2961235 Specdb::MsMs 2961236 131759068 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme