1.0 2020-03-26 05:25:20 UTC 2020-04-22 19:43:46 UTC BMDB0103654 TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 1-(11Z-Octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-Vaccenoyl-2-docosahexaenoyl-3-adrenoyl-glycerol TAG(18:1/22:6/22:4) TAG(62:11) TG(18:1/22:6/22:4) TG(62:11) Tracylglycerol(18:1/22:6/22:4) Tracylglycerol(62:11) Triacylglycerol Triglyceride TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C65H104O6 981.541 980.783291069 (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1 AKWRLSBPYGLHDM-ZWWWWMGCSA-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 10.28 ALOGPS logs -8.27 ALOGPS logp 21.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 981.541 ChemAxon mono_mass 980.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C65H104O6 ChemAxon inchi InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,32-35,40-41,43-44,50,53,62H,4-7,9-10,12-15,18,22-23,27,30-31,36-39,42,45-49,51-52,54-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,43-40-,44-41-,53-50-/t62-/m0/s1 ChemAxon inchikey AKWRLSBPYGLHDM-ZWWWWMGCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 317.99 ChemAxon polarizability 125.18 ChemAxon rotatable_bond_count 53 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 237854 Specdb::MsMs 672532 Specdb::MsMs 672533 Specdb::MsMs 672534 Specdb::MsMs 965524 Specdb::MsMs 965525 Specdb::MsMs 965526 Specdb::MsMs 2260600 Specdb::MsMs 2260601 Specdb::MsMs 2260602 Specdb::MsMs 2277971 Specdb::MsMs 2277972 Specdb::MsMs 2277973 Specdb::MsMs 2456718 Specdb::MsMs 2456719 Specdb::MsMs 2456720 Specdb::MsMs 2479405 Specdb::MsMs 2479406 Specdb::MsMs 2479407 Specdb::MsMs 3012425 Specdb::MsMs 3012426 Specdb::MsMs 3012427 131760469