1.0 2020-03-25 17:34:14 UTC 2020-04-22 19:06:28 UTC BMDB0097759 TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Myristoyl-2-docosapentaenoyl-3-docosahexaenoyl-glycerol 1-Tetradecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol TAG(14:0/22:5/22:6) TAG(58:11) TG(14:0/22:5/22:6) TG(58:11) Tracylglycerol(14:0/22:5/22:6) Tracylglycerol(58:11) Triacylglycerol Triglyceride TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 925.433 924.720690811 (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\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/C\C=C/CC InChI=1S/C61H96O6/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/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1 KRMCNOVCWGWYHP-CMNCQYTJSA-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 9.86 ALOGPS logs -8.13 ALOGPS logp 19.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 925.433 ChemAxon mono_mass 924.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\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/C\C=C/CC ChemAxon formula C61H96O6 ChemAxon inchi InChI=1S/C61H96O6/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/h7-8,10-11,16-17,19-20,24-27,30-33,36-37,39-40,45,48,58H,4-6,9,12-15,18,21-23,28-29,34-35,38,41-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-,48-45-/t58-/m0/s1 ChemAxon inchikey KRMCNOVCWGWYHP-CMNCQYTJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 299.58 ChemAxon polarizability 114.29 ChemAxon rotatable_bond_count 49 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 651274 Specdb::MsMs 651275 Specdb::MsMs 651276 Specdb::MsMs 2445847 Specdb::MsMs 2445848 Specdb::MsMs 2445849 Specdb::MsMs 2517351 Specdb::MsMs 2517352 Specdb::MsMs 2517353 Specdb::MsMs 2539358 Specdb::MsMs 2539359 Specdb::MsMs 2539360 Specdb::MsMs 2670474 Specdb::MsMs 2670475 Specdb::MsMs 2670476 Specdb::MsMs 2747365 Specdb::MsMs 2747366 Specdb::MsMs 2747367 131754036