1.0 2020-03-26 08:15:23 UTC 2020-04-22 19:56:43 UTC BMDB0105697 TG(22:1(13Z)/O-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(13Z-Docosenoyl)-2-octadecanyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Erucoyl-2-stearyl-3-osbondoyl-glycerol TAG(22:1/18:0/22:5) TAG(62:6) TG(22:1/18:0/22:5) TG(62:6) Tracylglycerol(22:1/18:0/22:5) Tracylglycerol(62:6) Triacylglycerol Triglyceride TG(22:1(13Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (2S)-3-[(13Z)-Docos-13-enoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid C65H116O5 977.638 976.882276835 (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,49,52,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-,52-49-/t63-/m1/s1 XOSNYLWXWYICIP-OFGBTHDTSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 11.13 ALOGPS logs -8.27 ALOGPS logp 23.36 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 977.638 ChemAxon mono_mass 976.882276835 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C65H116O5 ChemAxon inchi InChI=1S/C65H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,40,43,49,52,63H,4-15,17-18,20-24,27,30-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,43-40-,52-49-/t63-/m1/s1 ChemAxon inchikey XOSNYLWXWYICIP-OFGBTHDTSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 312.65 ChemAxon polarizability 131.03 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 294397 Specdb::MsMs 294398 Specdb::MsMs 294399 Specdb::MsMs 335095 Specdb::MsMs 335096 Specdb::MsMs 335097 Specdb::MsMs 2460790 Specdb::MsMs 2460791 Specdb::MsMs 2460792 Specdb::MsMs 2478644 Specdb::MsMs 2478645 Specdb::MsMs 2478646 131762602