1.0 2016-10-03 18:08:22 UTC 2020-05-11 19:11:45 UTC BMDB0010518 BMDB10518 TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso3] TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z)) Triacylglycerol Tracylglycerol(20:4/14:0/20:4) TAG(20:4/14:0/20:4) Triglyceride Tracylglycerol(54:8) TG(20:4/14:0/20:4) TG(54:8) 1-arachidonoyl-2-myristoyl-3-arachidonoyl-glycerol 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tetradecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TAG(54:8) TAG(20:4n6/14:0/20:4n6) TAG(20:4W6/14:0/20:4W6) TG(20:4n6/14:0/20:4n6) TG(20:4W6/14:0/20:4W6) Tracylglycerol(20:4n6/14:0/20:4n6) Tracylglycerol(20:4W6/14:0/20:4W6) C57H94O6 875.3527 874.70504074 3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate 3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,37-38,40-41,54H,4-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38- DVRTXZUHGFUXSB-RJHNFHBASA-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 Solid logp 10.37 ALOGPS logs -8.29 ALOGPS logp 18.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 875.3527 ChemAxon mono_mass 874.70504074 ChemAxon smiles [H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C57H94O6 ChemAxon inchi InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,37-38,40-41,54H,4-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38- ChemAxon inchikey DVRTXZUHGFUXSB-RJHNFHBASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 277.83 ChemAxon polarizability 109.31 ChemAxon rotatable_bond_count 48 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::MsMs 643027 Specdb::MsMs 643028 Specdb::MsMs 643029 Specdb::MsMs 2499287 Specdb::MsMs 2499288 Specdb::MsMs 2499289 Specdb::MsMs 2814299 Specdb::MsMs 2814300 Specdb::MsMs 2814301 Specdb::MsMs 2904774 Specdb::MsMs 2904775 Specdb::MsMs 2904776 Specdb::MsMs 3045169 Specdb::MsMs 3045170 Specdb::MsMs 3045171 Specdb::MsMs 3094912 Specdb::MsMs 3094913 Specdb::MsMs 3094914 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 53480561 24768272 FDB112280