1.0 2020-03-26 09:11:50 UTC 2020-04-22 20:01:32 UTC BMDB0106442 TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(9Z,12Z-Octadecadienoyl)-2-(13Z,16Z-docosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Linoleoyl-2-docosadienoyl-3-docosahexaenoyl-glycerol TAG(18:2/22:2/22:6) TAG(62:10) TG(18:2/22:2/22:6) TG(62:10) Tracylglycerol(18:2/22:2/22:6) Tracylglycerol(62:10) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H106O6 983.557 982.798941133 (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [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/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C65H106O6/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/h7,10,16-21,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1 OXHHTPCOKZQLRM-FBRQDKPDSA-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 10.46 ALOGPS logs -8.33 ALOGPS logp 21.53 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 983.557 ChemAxon mono_mass 982.798941133 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/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C65H106O6 ChemAxon inchi InChI=1S/C65H106O6/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/h7,10,16-21,25-29,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,22-24,30-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1 ChemAxon inchikey OXHHTPCOKZQLRM-FBRQDKPDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 316.87 ChemAxon polarizability 125 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::MsMs 624859 Specdb::MsMs 624860 Specdb::MsMs 624861 Specdb::MsMs 946582 Specdb::MsMs 946583 Specdb::MsMs 946584 Specdb::MsMs 2364241 Specdb::MsMs 2364242 Specdb::MsMs 2364243 Specdb::MsMs 2691527 Specdb::MsMs 2691528 Specdb::MsMs 2691529 Specdb::MsMs 3006681 Specdb::MsMs 3006682 Specdb::MsMs 3006683 Specdb::MsMs 3044176 Specdb::MsMs 3044177 Specdb::MsMs 3044178 Specdb::MsMs 3098896 Specdb::MsMs 3098897 Specdb::MsMs 3098898 131763362