1.0 2020-03-26 11:43:10 UTC 2020-04-22 20:14:05 UTC BMDB0108423 TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) 1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-(9Z-octadecenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Adrenoyl-2-oleoyl-3-a-linolenoyl-glycerol TAG(22:4/18:1/18:3) TAG(58:8) TG(22:4/18:1/18:3) TG(58:8) Tracylglycerol(22:4/18:1/18:3) Tracylglycerol(58:8) Triacylglycerol Triglyceride TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) C61H102O6 931.481 930.767641004 (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,39,58H,4-7,9-10,12-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1 MBUHKJFIIWOUFF-SQBRBFQGSA-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 10.60 ALOGPS logs -8.26 ALOGPS logp 20.47 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 931.481 ChemAxon mono_mass 930.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C61H102O6 ChemAxon inchi InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,30-33,36,39,58H,4-7,9-10,12-15,18,21-24,29,34-35,37-38,40-57H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1 ChemAxon inchikey MBUHKJFIIWOUFF-SQBRBFQGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.23 ChemAxon polarizability 120.86 ChemAxon rotatable_bond_count 52 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 200878 Specdb::MsMs 599674 Specdb::MsMs 599675 Specdb::MsMs 599676 Specdb::MsMs 936445 Specdb::MsMs 936446 Specdb::MsMs 936447 Specdb::MsMs 2419578 Specdb::MsMs 2419579 Specdb::MsMs 2419580 Specdb::MsMs 2735957 Specdb::MsMs 2735958 Specdb::MsMs 2735959 Specdb::MsMs 2772821 Specdb::MsMs 2772822 Specdb::MsMs 2772823 Specdb::MsMs 2948487 Specdb::MsMs 2948488 Specdb::MsMs 2948489 Specdb::MsMs 2973531 Specdb::MsMs 2973532 Specdb::MsMs 2973533 131765299