1.0 2020-03-25 18:42:07 UTC 2020-04-22 19:11:40 UTC BMDB0098579 TG(16:0/15:0/18:4(6Z,9Z,12Z,15Z)) 1-Hexadecanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Palmitoyl-2-pentadecanoyl-3-stearidonoyl-glycerol TAG(16:0/15:0/18:4) TAG(49:4) TG(16:0/15:0/18:4) TG(49:4) Tracylglycerol(16:0/15:0/18:4) Tracylglycerol(49:4) Triacylglycerol Triglyceride TG(16:0/15:0/18:4(6Z,9Z,12Z,15Z)) C52H92O6 813.302 812.689390682 (2S)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,31,33,49H,4-6,8-9,11-15,17-18,20-24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-31-/t49-/m0/s1 MTIRRZIQOPMLLQ-CQLMPLBXSA-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 10.70 ALOGPS logs -8.06 ALOGPS logp 17.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 813.302 ChemAxon mono_mass 812.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C52H92O6 ChemAxon inchi InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,31,33,49H,4-6,8-9,11-15,17-18,20-24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-31-/t49-/m0/s1 ChemAxon inchikey MTIRRZIQOPMLLQ-CQLMPLBXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.36 ChemAxon polarizability 105.95 ChemAxon rotatable_bond_count 47 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 617761 Specdb::MsMs 617762 Specdb::MsMs 617763 Specdb::MsMs 943714 Specdb::MsMs 943715 Specdb::MsMs 943716 Specdb::MsMs 2409499 Specdb::MsMs 2409500 Specdb::MsMs 2409501 Specdb::MsMs 2458550 Specdb::MsMs 2458551 Specdb::MsMs 2458552 Specdb::MsMs 2476307 Specdb::MsMs 2476308 Specdb::MsMs 2476309 Specdb::MsMs 2738497 Specdb::MsMs 2738498 Specdb::MsMs 2738499 Specdb::MsMs 2945301 Specdb::MsMs 2945302 Specdb::MsMs 2945303 131754991