1.0 2020-04-03 14:12:04 UTC 2020-04-03 14:12:05 UTC FDB097816 TG(15:0/17:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H98O6 855.383 854.736340876 (2S)-2-(heptadecanoyloxy)-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-(heptadecanoyloxy)-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCC InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h16,19,25,27,29,31,36,39,52H,4-15,17-18,20-24,26,28,30,32-35,37-38,40-51H2,1-3H3/b19-16-,27-25-,31-29-,39-36-/t52-/m0/s1 BRONEPJOIBPQAU-KBAMBTGPSA-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 10.82 ALOGPS logs -8.11 ALOGPS solubility 6.61e-06 g/l ALOGPS logp 19.25 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(heptadecanoyloxy)-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 855.383 ChemAxon mono_mass 854.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCC ChemAxon formula C55H98O6 ChemAxon inchi InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h16,19,25,27,29,31,36,39,52H,4-15,17-18,20-24,26,28,30,32-35,37-38,40-51H2,1-3H3/b19-16-,27-25-,31-29-,39-36-/t52-/m0/s1 ChemAxon inchikey BRONEPJOIBPQAU-KBAMBTGPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.16 ChemAxon polarizability 112.28 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1290202 Specdb::MsMs 1290203 Specdb::MsMs 1290204 Specdb::MsMs 1404925 Specdb::MsMs 1404926 Specdb::MsMs 1404927 Milk (Cow) Type 2 specific 505.75 2028.0 3.0 uM