1.0 2020-03-26 06:44:19 UTC 2020-04-22 19:49:49 UTC BMDB0104609 TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) 1-(11-Eicosenoyl)-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Eicosenoyl-2-eicsoatetraenoyl-3-meadoyl-glycerol TAG(20:1/20:4/20:3) TAG(60:8) TG(20:1/20:4/20:3) TG(60:8) Tracylglycerol(20:1/20:4/20:3) Tracylglycerol(60:8) Triacylglycerol Triglyceride TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C63H106O6 959.535 958.798941133 (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1 XFQJFJLWOIVLOP-KSZJBMDGSA-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 10.73 ALOGPS logs -8.25 ALOGPS logp 21.36 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 959.535 ChemAxon mono_mass 958.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H106O6 ChemAxon inchi InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1 ChemAxon inchikey XFQJFJLWOIVLOP-KSZJBMDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.44 ChemAxon polarizability 124.72 ChemAxon rotatable_bond_count 54 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 214130 Specdb::MsMs 651205 Specdb::MsMs 651206 Specdb::MsMs 651207 Specdb::MsMs 957175 Specdb::MsMs 957176 Specdb::MsMs 957177 Specdb::MsMs 2431156 Specdb::MsMs 2431157 Specdb::MsMs 2431158 Specdb::MsMs 2660290 Specdb::MsMs 2660291 Specdb::MsMs 2660292 Specdb::MsMs 2858699 Specdb::MsMs 2858700 Specdb::MsMs 2858701 Specdb::MsMs 3018312 Specdb::MsMs 3018313 Specdb::MsMs 3018314 Specdb::MsMs 3056225 Specdb::MsMs 3056226 Specdb::MsMs 3056227 131761507