1.0 2020-03-30 20:12:47 UTC 2020-12-07 19:10:15 UTC CDB002964 TG(22:1(13Z)/22:0/18:3(6Z,9Z,12Z)) TG(22:1(13Z)/22:0/18:3(6Z,9Z,12Z)) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(22:1(13Z)/22:0/18:3(6Z,9Z,12Z)) is made up of one 13Z-docosenoyl(R1), one docosanoyl(R2), and one 6Z,9Z,12Z-octadecatrienoyl(R3). This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. 1-(13Z-Docosenoyl)-2-docosanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol 1-Erucoyl-2-behenoyl-3-g-linolenoyl-glycerol TAG(22:1/22:0/18:3) TAG(62:4) TG(22:1/22:0/18:3) TG(62:4) Tracylglycerol(22:1/22:0/18:3) Tracylglycerol(62:4) Triacylglycerol Triglyceride TG(22:1(13Z)/22:0/18:3(6Z,9Z,12Z)) C65H118O6 995.65 994.8928 (2S)-2-(docosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docos-13-enoate (2S)-2-(docosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docos-13-enoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-/t62-/m1/s1 SAPBKXGZBNWVHW-BOKIDYLASA-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 23.7 Extrapolated logp 10.84 ALOGPS logs -8.24 ALOGPS logp 23.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(docosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docos-13-enoate ChemAxon average_mass 995.65 ChemAxon mono_mass 994.8928 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C65H118O6 ChemAxon inchi InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,36,42,45,62H,4-17,19-20,22-24,26,29-35,37-41,43-44,46-61H2,1-3H3/b21-18-,28-25-,36-27-,45-42-/t62-/m1/s1 ChemAxon inchikey SAPBKXGZBNWVHW-BOKIDYLASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.17 ChemAxon polarizability 133.99 ChemAxon rotatable_bond_count 60 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 131762224