1.0 2020-03-26 02:11:32 UTC 2020-04-22 19:32:08 UTC BMDB0101816 TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)) 1-Lignoceroyl-2-eicosapentaenoyl-3-oleoyl-glycerol 1-Tetracosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(9Z-octadecenoyl)-glycerol TAG(24:0/20:5/18:1) TAG(62:6) TG(24:0/20:5/18:1) TG(62:6) Tracylglycerol(24:0/20:5/18:1) Tracylglycerol(62:6) Triacylglycerol Triglyceride TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)) C65H114O6 991.621 990.861541391 (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl tetracosanoate (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(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)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1 YDXXRVPJNOLCQD-MOHBBMOPSA-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 10.95 ALOGPS logs -8.24 ALOGPS logp 22.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl tetracosanoate ChemAxon average_mass 991.621 ChemAxon mono_mass 990.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C65H114O6 ChemAxon inchi InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(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)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29,36,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,28,30-35,37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,36-27-,41-38-,50-47-/t62-/m1/s1 ChemAxon inchikey YDXXRVPJNOLCQD-MOHBBMOPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 312.4 ChemAxon polarizability 131.61 ChemAxon rotatable_bond_count 58 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 648577 Specdb::MsMs 648578 Specdb::MsMs 648579 Specdb::MsMs 956131 Specdb::MsMs 956132 Specdb::MsMs 956133 Specdb::MsMs 2347109 Specdb::MsMs 2347110 Specdb::MsMs 2347111 Specdb::MsMs 2537510 Specdb::MsMs 2537511 Specdb::MsMs 2537512 Specdb::MsMs 2564169 Specdb::MsMs 2564170 Specdb::MsMs 2564171 Specdb::MsMs 2591986 Specdb::MsMs 2591987 Specdb::MsMs 2591988 Specdb::MsMs 2750044 Specdb::MsMs 2750045 Specdb::MsMs 2750046 131758475