1.0 2020-03-26 07:34:56 UTC 2020-04-22 19:53:35 UTC BMDB0105199 TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Meadoyl-2-docosapentaenoyl-3-a-linolenoyl-glycerol TAG(20:3/22:5/18:3) TAG(60:11) TG(20:3/22:5/18:3) TG(60:11) Tracylglycerol(20:3/22:5/18:3) Tracylglycerol(60:11) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C63H100O6 953.487 952.75199094 (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [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/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H100O6/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/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-39,42,44,47,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m1/s1 SZEVHZAZCSIMNY-HFJBPTFQSA-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 10.04 ALOGPS logs -8.16 ALOGPS logp 20.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 953.487 ChemAxon mono_mass 952.75199094 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/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H100O6 ChemAxon inchi InChI=1S/C63H100O6/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/h7,9-10,12,16,18-19,21,25-29,31,33-35,38-39,42,44,47,60H,4-6,8,11,13-15,17,20,22-24,30,32,36-37,40-41,43,45-46,48-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,47-44-/t60-/m1/s1 ChemAxon inchikey SZEVHZAZCSIMNY-HFJBPTFQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 308.78 ChemAxon polarizability 120.26 ChemAxon rotatable_bond_count 51 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 209903 Specdb::MsMs 594451 Specdb::MsMs 594452 Specdb::MsMs 594453 Specdb::MsMs 934342 Specdb::MsMs 934343 Specdb::MsMs 934344 Specdb::MsMs 2325564 Specdb::MsMs 2325565 Specdb::MsMs 2325566 Specdb::MsMs 2399706 Specdb::MsMs 2399707 Specdb::MsMs 2399708 Specdb::MsMs 2406269 Specdb::MsMs 2406270 Specdb::MsMs 2406271 Specdb::MsMs 2610593 Specdb::MsMs 2610594 Specdb::MsMs 2610595 Specdb::MsMs 2930445 Specdb::MsMs 2930446 Specdb::MsMs 2930447 131762097