1.0 2016-09-30 23:29:50 UTC 2020-05-11 18:26:58 UTC BMDB0007067 BMDB07067 DG(15:0/14:1(9Z)/0:0) 1-Pentadecanoyl-2-myristoleoyl-sn-glycerol DAG(15:0/14:1) DAG(15:0/14:1N5) DAG(15:0/14:1W5) DAG(29:1) DG(15:0/14:1) DG(15:0/14:1N5) DG(15:0/14:1W5) DG(29:1) Diacylglycerol Diacylglycerol(15:0/14:1) Diacylglycerol(15:0/14:1n5) Diacylglycerol(15:0/14:1W5) Diacylglycerol(29:1) Diglyceride 1-Pentadecanoyl-2-(9Z-tetradecenoyl)-sn-glycerol DG(15:0/14:1(9Z)/0:0) C32H60O5 524.8158 524.44407503 (2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl pentadecanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1 QONRXIIWERLIJA-CCZSOTCQSA-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 9.25 ALOGPS logs -7.26 ALOGPS logp 10.31 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl pentadecanoate ChemAxon average_mass 524.8158 ChemAxon mono_mass 524.44407503 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C32H60O5 ChemAxon inchi InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1 ChemAxon inchikey QONRXIIWERLIJA-CCZSOTCQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 155.01 ChemAxon polarizability 67.7 ChemAxon rotatable_bond_count 30 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::MsMs 632962 Specdb::MsMs 632963 Specdb::MsMs 632964 Specdb::MsMs 2590573 Specdb::MsMs 2590574 Specdb::MsMs 2590575 Specdb::MsMs 2679750 Specdb::MsMs 2679751 Specdb::MsMs 2679752 Specdb::MsMs 2800525 Specdb::MsMs 2800526 Specdb::MsMs 2800527 Specdb::MsMs 2878571 Specdb::MsMs 2878572 Specdb::MsMs 2878573 Specdb::CMs 39206 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 FDB024261 24765901 53478002