1.0 2020-04-03 14:18:30 UTC 2020-04-03 14:18:31 UTC FDB097859 TG(15:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C58H98O6 891.416 890.736340876 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-,45-42-/t55-/m0/s1 HPIZLBYYGOCKAC-VJTFIWRRSA-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. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds 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 logp 10.65 ALOGPS logs -8.05 ALOGPS solubility 7.68e-06 g/l ALOGPS logp 18.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 891.416 ChemAxon mono_mass 890.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C58H98O6 ChemAxon inchi InChI=1S/C58H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26,29-30,33,36,42,45,55H,4-6,8-9,11-14,17,20-23,25,27-28,31-32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,36-33-,45-42-/t55-/m0/s1 ChemAxon inchikey HPIZLBYYGOCKAC-VJTFIWRRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 270.99 ChemAxon polarizability 111.8 ChemAxon rotatable_bond_count 49 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 210836 Specdb::MsMs 615802 Specdb::MsMs 615803 Specdb::MsMs 615804 Specdb::MsMs 942868 Specdb::MsMs 942869 Specdb::MsMs 942870 Specdb::MsMs 2349406 Specdb::MsMs 2349407 Specdb::MsMs 2349408 Specdb::MsMs 2436397 Specdb::MsMs 2436398 Specdb::MsMs 2436399 Specdb::MsMs 2786902 Specdb::MsMs 2786903 Specdb::MsMs 2786904 Specdb::MsMs 2864202 Specdb::MsMs 2864203 Specdb::MsMs 2864204 Specdb::MsMs 2918741 Specdb::MsMs 2918742 Specdb::MsMs 2918743 Milk (Cow) Type 2 specific 539.458333 2078.0 2.6 uM