1.0 2020-03-26 03:40:11 UTC 2020-04-22 19:36:25 UTC BMDB0102495 TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) 1-(9Z-Tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z-hexadecenoyl)-glycerol 1-Myristoleoyl-2-docosahexaenoyl-3-palmitoleoyl-glycerol TAG(14:1/22:6/16:1) TAG(52:8) TG(14:1/22:6/16:1) TG(52:8) Tracylglycerol(14:1/22:6/16:1) Tracylglycerol(52:8) Triacylglycerol Triglyceride TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C55H90O6 847.319 846.673740618 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,40,43,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1 BTZBYLDYWHUFOU-YNDGGFTNSA-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 10.17 ALOGPS logs -8.24 ALOGPS logp 17.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 847.319 ChemAxon mono_mass 846.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C55H90O6 ChemAxon inchi InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,40,43,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1 ChemAxon inchikey BTZBYLDYWHUFOU-YNDGGFTNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 268.63 ChemAxon polarizability 107.11 ChemAxon rotatable_bond_count 46 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 225625 Specdb::MsMs 598210 Specdb::MsMs 598211 Specdb::MsMs 598212 Specdb::MsMs 935815 Specdb::MsMs 935816 Specdb::MsMs 935817 Specdb::MsMs 2368674 Specdb::MsMs 2368675 Specdb::MsMs 2368676 Specdb::MsMs 2469697 Specdb::MsMs 2469698 Specdb::MsMs 2469699 Specdb::MsMs 2492426 Specdb::MsMs 2492427 Specdb::MsMs 2492428 Specdb::MsMs 2831299 Specdb::MsMs 2831300 Specdb::MsMs 2831301 Specdb::MsMs 2904090 Specdb::MsMs 2904091 Specdb::MsMs 2904092 131759210