1.0 2020-03-26 12:18:35 UTC 2020-04-22 20:16:55 UTC BMDB0108870 TG(18:3(9Z,12Z,15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-docosanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-a-Linolenoyl-2-behenoyl-3-eicosapentaenoyl-glycerol TAG(18:3/22:0/20:5) TAG(60:8) TG(18:3/22:0/20:5) TG(60:8) Tracylglycerol(18:3/22:0/20:5) Tracylglycerol(60:8) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 959.535 958.798941133 (2S)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl docosanoate (2S)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl docosanoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,44,47,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1 RTQRXFBDRZBVFU-TYXQVQFXSA-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 10.78 ALOGPS logs -8.25 ALOGPS logp 21.36 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl docosanoate ChemAxon average_mass 959.535 ChemAxon mono_mass 958.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C63H106O6 ChemAxon inchi InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29,34-35,38,44,47,60H,4-7,10,13-16,19,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1 ChemAxon inchikey RTQRXFBDRZBVFU-TYXQVQFXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.44 ChemAxon polarizability 124.33 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 215857 Specdb::MsMs 572527 Specdb::MsMs 572528 Specdb::MsMs 572529 Specdb::MsMs 925468 Specdb::MsMs 925469 Specdb::MsMs 925470 Specdb::MsMs 2359251 Specdb::MsMs 2359252 Specdb::MsMs 2359253 Specdb::MsMs 2361077 Specdb::MsMs 2361078 Specdb::MsMs 2361079 Specdb::MsMs 2603792 Specdb::MsMs 2603793 Specdb::MsMs 2603794 Specdb::MsMs 2840487 Specdb::MsMs 2840488 Specdb::MsMs 2840489 Specdb::MsMs 3005745 Specdb::MsMs 3005746 Specdb::MsMs 3005747 131765724