1.0 2020-03-26 09:17:52 UTC 2020-04-22 20:02:03 UTC BMDB0106523 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(9Z,12Z-Octadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Linoleoyl-2-eicosapentaenoyl-3-osbondoyl-glycerol TAG(18:2/20:5/22:5) TAG(60:12) TG(18:2/20:5/22:5) TG(60:12) Tracylglycerol(18:2/20:5/22:5) Tracylglycerol(60:12) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H98O6 951.471 950.736340876 (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H98O6/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/h8,11,16-21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1 XGWYJPQVIVKSDG-QVGLGOOISA-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 9.76 ALOGPS logs -8.13 ALOGPS logp 19.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 951.471 ChemAxon mono_mass 950.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H98O6 ChemAxon inchi InChI=1S/C63H98O6/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/h8,11,16-21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-7,9-10,12-15,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-,50-47-/t60-/m0/s1 ChemAxon inchikey XGWYJPQVIVKSDG-QVGLGOOISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 309.9 ChemAxon polarizability 118 ChemAxon rotatable_bond_count 50 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 226833 Specdb::MsMs 605230 Specdb::MsMs 605231 Specdb::MsMs 605232 Specdb::MsMs 938572 Specdb::MsMs 938573 Specdb::MsMs 938574 Specdb::MsMs 2442931 Specdb::MsMs 2442932 Specdb::MsMs 2442933 Specdb::MsMs 2746981 Specdb::MsMs 2746982 Specdb::MsMs 2746983 Specdb::MsMs 2870579 Specdb::MsMs 2870580 Specdb::MsMs 2870581 Specdb::MsMs 3039056 Specdb::MsMs 3039057 Specdb::MsMs 3039058 Specdb::MsMs 3101843 Specdb::MsMs 3101844 Specdb::MsMs 3101845 131763444