1.0 2020-03-26 07:06:08 UTC 2020-04-22 19:51:25 UTC BMDB0104861 TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(9Z-hexadecenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Meadoyl-2-palmitoleoyl-3-docosapentaenoyl-glycerol TAG(20:3/16:1/22:5) TAG(58:9) TG(20:3/16:1/22:5) TG(58:9) Tracylglycerol(20:3/16:1/22:5) Tracylglycerol(58:9) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H100O6 929.465 928.75199094 (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1 QYCGKKNTIKXUHP-DOZAJGISSA-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 10.42 ALOGPS logs -8.32 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 929.465 ChemAxon mono_mass 928.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,30,32-33,36-37,39,41,44,58H,4-6,8-9,11-15,17-18,20,22-23,29,31,34-35,38,40,42-43,45-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-/t58-/m0/s1 ChemAxon inchikey QYCGKKNTIKXUHP-DOZAJGISSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 117.51 ChemAxon rotatable_bond_count 51 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 629641 Specdb::MsMs 629642 Specdb::MsMs 629643 Specdb::MsMs 948511 Specdb::MsMs 948512 Specdb::MsMs 948513 Specdb::MsMs 2444968 Specdb::MsMs 2444969 Specdb::MsMs 2444970 Specdb::MsMs 2770862 Specdb::MsMs 2770863 Specdb::MsMs 2770864 Specdb::MsMs 2872577 Specdb::MsMs 2872578 Specdb::MsMs 2872579 Specdb::MsMs 2907753 Specdb::MsMs 2907754 Specdb::MsMs 2907755 Specdb::MsMs 2933109 Specdb::MsMs 2933110 Specdb::MsMs 2933111 131761759