1.0 2020-03-25 21:15:27 UTC 2020-04-22 19:15:44 UTC BMDB0099224 TG(18:0/15:0/18:3(6Z,9Z,12Z)) 1-Octadecanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol 1-Stearoyl-2-pentadecanoyl-3-g-linolenoyl-glycerol TAG(18:0/15:0/18:3) TAG(51:3) TG(18:0/15:0/18:3) TG(51:3) Tracylglycerol(18:0/15:0/18:3) Tracylglycerol(51:3) Triacylglycerol Triglyceride TG(18:0/15:0/18:3(6Z,9Z,12Z)) C54H98O6 843.372 842.736340876 (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,34,51H,4-15,17-18,20-24,26,28-31,33,35-50H2,1-3H3/b19-16-,27-25-,34-32-/t51-/m1/s1 SAZSVOQHSUNCSC-JADYITACSA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.81 ALOGPS logs -8.11 ALOGPS logp 19.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate ChemAxon average_mass 843.372 ChemAxon mono_mass 842.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C54H98O6 ChemAxon inchi InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,32,34,51H,4-15,17-18,20-24,26,28-31,33,35-50H2,1-3H3/b19-16-,27-25-,34-32-/t51-/m1/s1 ChemAxon inchikey SAZSVOQHSUNCSC-JADYITACSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 258.44 ChemAxon polarizability 111.21 ChemAxon rotatable_bond_count 50 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 613078 Specdb::MsMs 613079 Specdb::MsMs 613080 Specdb::MsMs 941845 Specdb::MsMs 941846 Specdb::MsMs 941847 Specdb::MsMs 2343078 Specdb::MsMs 2343079 Specdb::MsMs 2343080 Specdb::MsMs 2791412 Specdb::MsMs 2791413 Specdb::MsMs 2791414 Specdb::MsMs 2805645 Specdb::MsMs 2805646 Specdb::MsMs 2805647 Specdb::MsMs 2877002 Specdb::MsMs 2877003 Specdb::MsMs 2877004 Specdb::MsMs 2987552 Specdb::MsMs 2987553 Specdb::MsMs 2987554 131755752