1.0 2020-03-26 02:54:52 UTC 2020-04-22 19:32:53 UTC BMDB0101935 TG(14:1(9Z)/15:0/18:2(9Z,12Z)) 1-(9Z-Tetradecenoyl)-2-pentadecanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Myristoleoyl-2-pentadecanoyl-3-linoleoyl-glycerol TAG(14:1/15:0/18:2) TAG(47:3) TG(14:1/15:0/18:2) TG(47:3) Tracylglycerol(14:1/15:0/18:2) Tracylglycerol(47:3) Triacylglycerol Triglyceride TG(14:1(9Z)/15:0/18:2(9Z,12Z)) C50H90O6 787.264 786.673740618 (2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate (2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,47H,4-14,17,20-23,26-46H2,1-3H3/b18-15-,19-16-,25-24-/t47-/m0/s1 SSMKCXDMBHRTIM-LQQRUDSCSA-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 10.59 ALOGPS logs -8.05 ALOGPS logp 17.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 787.264 ChemAxon mono_mass 786.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C50H90O6 ChemAxon inchi InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,47H,4-14,17,20-23,26-46H2,1-3H3/b18-15-,19-16-,25-24-/t47-/m0/s1 ChemAxon inchikey SSMKCXDMBHRTIM-LQQRUDSCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 240.04 ChemAxon polarizability 102.59 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::MsMs 2416114 Specdb::MsMs 2416115 Specdb::MsMs 2416116 Specdb::MsMs 2732817 Specdb::MsMs 2732818 Specdb::MsMs 2732819 Specdb::MsMs 2743447 Specdb::MsMs 2743448 Specdb::MsMs 2743449 Specdb::MsMs 2935703 Specdb::MsMs 2935704 Specdb::MsMs 2935705 Specdb::MsMs 2951622 Specdb::MsMs 2951623 Specdb::MsMs 2951624 131758597