1.0 2016-09-30 23:45:38 UTC 2020-05-11 18:37:45 UTC BMDB0007847 BMDB07847 DG(24:1(15Z)/24:0/0:0) 1-Nervonoyl-2-lignoceroyl-sn-glycerol Diacylglycerol(24:1/24:0) Diglyceride DAG(48:1) Diacylglycerol(48:1) Diacylglycerol DG(24:1/24:0) DG(48:1) 1-(15Z-Tetracosanoyl)-2-tetracosanoyl-sn-glycerol DAG(24:1/24:0) DG(24:1(15Z)/24:0/0:0) C51H98O5 791.3208 790.741426246 (2S)-3-hydroxy-2-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,49,52H,3-16,18,20-48H2,1-2H3/b19-17-/t49-/m0/s1 YUFFMVIZZQIBPN-GBCBJHACSA-N belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,2-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols 1,2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Solid logp 10.93 ALOGPS logs -7.82 ALOGPS logp 18.75 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 791.3208 ChemAxon mono_mass 790.741426246 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C51H98O5 ChemAxon inchi InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,49,52H,3-16,18,20-48H2,1-2H3/b19-17-/t49-/m0/s1 ChemAxon inchikey YUFFMVIZZQIBPN-GBCBJHACSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 242.43 ChemAxon polarizability 107.96 ChemAxon rotatable_bond_count 49 ChemAxon acceptor_count 3 ChemAxon donor_count 1 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 787329 Specdb::MsMs 609706 Specdb::MsMs 609707 Specdb::MsMs 609708 Specdb::MsMs 2698347 Specdb::MsMs 2698348 Specdb::MsMs 2698349 Specdb::MsMs 2796494 Specdb::MsMs 2796495 Specdb::MsMs 2796496 Specdb::MsMs 2900229 Specdb::MsMs 2900230 Specdb::MsMs 2900231 Specdb::MsMs 2983070 Specdb::MsMs 2983071 Specdb::MsMs 2983072 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 53478597