1.0 2020-03-26 08:58:08 UTC 2020-04-22 20:00:23 UTC BMDB0106262 TG(18:2(9Z,12Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(9Z,12Z-Octadecadienoyl)-2-tetracosanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Linoleoyl-2-lignoceroyl-3-docosapentaenoyl-glycerol TAG(18:2/24:0/22:5) TAG(64:7) TG(18:2/24:0/22:5) TG(64:7) Tracylglycerol(18:2/24:0/22:5) Tracylglycerol(64:7) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z)) C67H116O6 1017.659 1016.877191455 (2S)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl tetracosanoate (2S)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,45,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1 OFNGNFLSGDDLSY-QVFJJPPDSA-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 10.92 ALOGPS logs -8.14 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1017.659 ChemAxon mono_mass 1016.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H116O6 ChemAxon inchi InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,34,36,38,42,45,64H,4-7,9-10,12-16,19,22-25,28,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-/t64-/m0/s1 ChemAxon inchikey OFNGNFLSGDDLSY-QVFJJPPDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 322.72 ChemAxon polarizability 133.97 ChemAxon rotatable_bond_count 59 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 240963 Specdb::MsMs 629947 Specdb::MsMs 629948 Specdb::MsMs 629949 Specdb::MsMs 948649 Specdb::MsMs 948650 Specdb::MsMs 948651 Specdb::MsMs 2371552 Specdb::MsMs 2371553 Specdb::MsMs 2371554 Specdb::MsMs 2841654 Specdb::MsMs 2841655 Specdb::MsMs 2841656 Specdb::MsMs 2901981 Specdb::MsMs 2901982 Specdb::MsMs 2901983 Specdb::MsMs 3042553 Specdb::MsMs 3042554 Specdb::MsMs 3042555 Specdb::MsMs 3097195 Specdb::MsMs 3097196 Specdb::MsMs 3097197 131763176