1.0 2020-03-26 00:45:08 UTC 2020-04-22 19:25:37 UTC BMDB0100787 TG(22:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) 1-Behenoyl-2-meadoyl-3-g-linolenoyl-glycerol 1-Docosanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol TAG(22:0/20:3/18:3) TAG(60:6) TG(22:0/20:3/18:3) TG(60:6) Tracylglycerol(22:0/20:3/18:3) Tracylglycerol(60:6) Triacylglycerol Triglyceride TG(22:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) C63H110O6 963.567 962.830241262 (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl docosanoate (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,36,39-40,43,45,48,60H,4-17,19-20,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1 OHGHFOMCCWAMGO-GGUDGPTISA-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 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 Aliphatic acyclic compounds logp 10.91 ALOGPS logs -8.21 ALOGPS logp 22.09 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl docosanoate ChemAxon average_mass 963.567 ChemAxon mono_mass 962.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C63H110O6 ChemAxon inchi InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34,36,39-40,43,45,48,60H,4-17,19-20,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1 ChemAxon inchikey OHGHFOMCCWAMGO-GGUDGPTISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 303.2 ChemAxon polarizability 126.66 ChemAxon rotatable_bond_count 56 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 206009 Specdb::MsMs 665392 Specdb::MsMs 665393 Specdb::MsMs 665394 Specdb::MsMs 962728 Specdb::MsMs 962729 Specdb::MsMs 962730 Specdb::MsMs 2433538 Specdb::MsMs 2433539 Specdb::MsMs 2433540 Specdb::MsMs 2560842 Specdb::MsMs 2560843 Specdb::MsMs 2560844 Specdb::MsMs 2732085 Specdb::MsMs 2732086 Specdb::MsMs 2732087 Specdb::MsMs 2856288 Specdb::MsMs 2856289 Specdb::MsMs 2856290 Specdb::MsMs 2976164 Specdb::MsMs 2976165 Specdb::MsMs 2976166 131757476