1.0 2020-03-26 03:46:08 UTC 2020-04-22 19:36:54 UTC BMDB0102570 TG(16:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z)) 1-(9Z-Hexadecenoyl)-2-pentadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Palmitoleoyl-2-pentadecanoyl-3-stearidonoyl-glycerol TAG(16:1/15:0/18:4) TAG(49:5) TG(16:1/15:0/18:4) TG(49:5) Tracylglycerol(16:1/15:0/18:4) Tracylglycerol(49:5) Triacylglycerol Triglyceride TG(16:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z)) C52H90O6 811.286 810.673740618 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C52H90O6/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/h7,10,16,19-20,23,25-26,31,33,49H,4-6,8-9,11-15,17-18,21-22,24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,33-31-/t49-/m0/s1 GAMHGECUGNEWQW-CNXDFWOBSA-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 10.56 ALOGPS logs -7.96 ALOGPS logp 17.56 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 811.286 ChemAxon mono_mass 810.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C52H90O6 ChemAxon inchi InChI=1S/C52H90O6/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/h7,10,16,19-20,23,25-26,31,33,49H,4-6,8-9,11-15,17-18,21-22,24,27-30,32,34-48H2,1-3H3/b10-7-,19-16-,23-20-,26-25-,33-31-/t49-/m0/s1 ChemAxon inchikey GAMHGECUGNEWQW-CNXDFWOBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 251.47 ChemAxon polarizability 104.3 ChemAxon rotatable_bond_count 46 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::CMs 206678 Specdb::MsMs 637870 Specdb::MsMs 637871 Specdb::MsMs 637872 Specdb::MsMs 951883 Specdb::MsMs 951884 Specdb::MsMs 951885 Specdb::MsMs 2286589 Specdb::MsMs 2286590 Specdb::MsMs 2286591 Specdb::MsMs 2344835 Specdb::MsMs 2344836 Specdb::MsMs 2344837 Specdb::MsMs 2591299 Specdb::MsMs 2591300 Specdb::MsMs 2591301 Specdb::MsMs 2676774 Specdb::MsMs 2676775 Specdb::MsMs 2676776 Specdb::MsMs 3080658 Specdb::MsMs 3080659 Specdb::MsMs 3080660