1.0 2020-03-26 09:23:29 UTC 2020-04-22 20:02:32 UTC BMDB0106600 TG(18:3(6Z,9Z,12Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-pentadecanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-g-Linolenoyl-2-pentadecanoyl-3-docosapentaenoyl-glycerol TAG(18:3/15:0/22:5) TAG(55:8) TG(18:3/15:0/22:5) TG(55:8) Tracylglycerol(18:3/15:0/22:5) Tracylglycerol(55:8) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) C58H96O6 889.4 888.720690811 (2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(pentadecanoyloxy)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)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-38,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-/t55-/m0/s1 CYOHTYPTKYBDNF-OOMJWHMBSA-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 10.41 ALOGPS logs -8.30 ALOGPS logp 19.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 889.4 ChemAxon mono_mass 888.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C58H96O6 ChemAxon inchi InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-31,34,36-38,55H,4-6,8-9,11-15,18,21-24,28,32-33,35,39-54H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,38-36-/t55-/m0/s1 ChemAxon inchikey CYOHTYPTKYBDNF-OOMJWHMBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.43 ChemAxon polarizability 113.05 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 578581 Specdb::MsMs 578582 Specdb::MsMs 578583 Specdb::MsMs 927931 Specdb::MsMs 927932 Specdb::MsMs 927933 Specdb::MsMs 2267876 Specdb::MsMs 2267877 Specdb::MsMs 2267878 Specdb::MsMs 2323096 Specdb::MsMs 2323097 Specdb::MsMs 2323098 Specdb::MsMs 2585168 Specdb::MsMs 2585169 Specdb::MsMs 2585170 Specdb::MsMs 2616315 Specdb::MsMs 2616316 Specdb::MsMs 2616317 Specdb::MsMs 2692211 Specdb::MsMs 2692212 Specdb::MsMs 2692213 Specdb::CMs 207624 131763521