1.0 2016-09-30 23:45:29 UTC 2020-05-11 18:37:39 UTC BMDB0007840 BMDB07840 DG(24:1(15Z)/22:0/0:0) 1-Nervonoyl-2-behenoyl-sn-glycerol DAG(24:1/22:0) DAG(24:1N9/22:0) DAG(24:1W9/22:0) DAG(46:1) DG(24:1/22:0) DG(24:1N9/22:0) DG(24:1W9/22:0) DG(46:1) Diacylglycerol Diacylglycerol(24:1/22:0) Diacylglycerol(24:1n9/22:0) Diacylglycerol(24:1W9/22:0) Diacylglycerol(46:1) Diglyceride 1-(15Z-Tetracosanoyl)-2-docosanoyl-sn-glycerol DG(24:1(15Z)/22:0/0:0) C49H94O5 763.2677 762.710126118 (2S)-2-(docosanoyloxy)-3-hydroxypropyl (15Z)-tetracos-15-enoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,47,50H,3-16,18,20-46H2,1-2H3/b19-17-/t47-/m0/s1 UPVGABFSGSPFCU-SDEAOELPSA-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 10.89 ALOGPS logs -7.79 ALOGPS logp 17.87 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2-(docosanoyloxy)-3-hydroxypropyl (15Z)-tetracos-15-enoate ChemAxon average_mass 763.2677 ChemAxon mono_mass 762.710126118 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C49H94O5 ChemAxon inchi InChI=1S/C49H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,47,50H,3-16,18,20-46H2,1-2H3/b19-17-/t47-/m0/s1 ChemAxon inchikey UPVGABFSGSPFCU-SDEAOELPSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 233.23 ChemAxon polarizability 103.65 ChemAxon rotatable_bond_count 47 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 781971 Specdb::CMs 781972 Specdb::MsMs 567139 Specdb::MsMs 567140 Specdb::MsMs 567141 Specdb::MsMs 2470989 Specdb::MsMs 2470990 Specdb::MsMs 2470991 Specdb::MsMs 2705123 Specdb::MsMs 2705124 Specdb::MsMs 2705125 Specdb::MsMs 2802604 Specdb::MsMs 2802605 Specdb::MsMs 2802606 Specdb::MsMs 3003013 Specdb::MsMs 3003014 Specdb::MsMs 3003015 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 24766498 53478590 FDB025033