1.0 2010-04-08 22:05:37 UTC 2019-11-26 02:58:19 UTC FDB003000 Glycerol 1,2-di-(9Z-octadecenoate) Emulsifier, stabiliser, wetting agent and lubricant (S)-1,2-Diolein (S)-Glycerol 1,2-dioleate 1,2-Di-(9Z-octadecenoyl)-sn-glycerol 1,2-Di-9E-octadecenoylglycerol 1,2-Di(cis-9-octadecenoyl)-sn-glycerol 1,2-Dioleoyl-rac-glycerol 1,2-Dioleoyl-sn-glycerol 1,2-Dioleoylglycerol a,b-Diolein DAG(18:1/18:1) DAG(18:1N9/18:1N9) DAG(18:1W9/18:1W9) DAG(36:2) DG(18:1(9Z)/18:1(9Z)/0:0) DG(18:1/18:1) DG(18:1/18:1/0:0) DG(18:1N9/18:1N9) DG(18:1W9/18:1W9) DG(36:2) Diacylglycerol Diacylglycerol(18:1/18:1) Diacylglycerol(18:1N9/18:1N9) Diacylglycerol(18:1W9/18:1W9) Diacylglycerol(36:2) Diglyceride sn-1,2-Diolein sn-1,2-Dioleoylglycerol C39H72O5 620.986 620.537975414 1-hydroxy-3-[(9E)-octadec-9-enoyloxy]propan-2-yl (9E)-octadec-9-enoate 1-hydroxy-3-[(9E)-octadec-9-enoyloxy]propan-2-yl (9E)-octadec-9-enoate 24529-88-2 CCCCCCCC\C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C\CCCCCCCC InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+ AFSHUZFNMVJNKX-XPWSMXQVSA-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. 1,2-diacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols Aliphatic acyclic compounds 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 Solid logp 10.26 ALOGPS logs -7.70 ALOGPS solubility 1.25e-05 g/l ALOGPS logp 13.06 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-hydroxy-3-[(9E)-octadec-9-enoyloxy]propan-2-yl (9E)-octadec-9-enoate ChemAxon average_mass 620.986 ChemAxon mono_mass 620.537975414 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C\CCCCCCCC ChemAxon formula C39H72O5 ChemAxon inchi InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+ ChemAxon inchikey AFSHUZFNMVJNKX-XPWSMXQVSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 188.34 ChemAxon polarizability 82.68 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71247 Specdb::MsMs 71248 Specdb::MsMs 71249 Specdb::MsMs 129882 Specdb::MsMs 129883 Specdb::MsMs 129884 HMDB07218 52333 Milk (Cow) Type 2 specific 50.15 118.0 2.6 uM 2-acylglycerol O-acyltransferase 1 Q96PD6 MOGAT1 2-acylglycerol O-acyltransferase 2 Q3SYC2 MOGAT2 2-acylglycerol O-acyltransferase 3 Q86VF5 MOGAT3 Acyl-CoA wax alcohol acyltransferase 1 Q58HT5 AWAT1 Acyl-CoA wax alcohol acyltransferase 2 Q6E213 AWAT2 CDC42 binding protein kinase beta (DMPK-like) A9JR72 CDC42BPB CDC42-binding protein kinase beta Q8IWQ7 CDC42BPA Choline-phosphate cytidylyltransferase A P49585 PCYT1A Diacylglycerol O-acyltransferase 1 O75907 DGAT1 Diacylglycerol O-acyltransferase 2 Q96PD7 DGAT2 Diacylglycerol O-acyltransferase 2-like protein 6 Q6ZPD8 DGAT2L6 Endothelial lipase Q9Y5X9 LIPG Galactosylceramide sulfotransferase Q99999 GAL3ST1 Gastric triacylglycerol lipase P07098 LIPF Hepatic triacylglycerol lipase P11150 LIPC Inactive pancreatic lipase-related protein 1 P54315 PNLIPRP1 Kinase suppressor of Ras 1 Q8IVT5 KSR1 Kinase suppressor of Ras 2 Q6VAB6 KSR2 Lipoprotein lipase P06858 LPL Lysosomal acid lipase/cholesteryl ester hydrolase P38571 LIPA Pancreatic lipase-related protein 2 P54317 PNLIPRP2 Pancreatic lipase-related protein 3 Q17RR3 PNLIPRP3 Pancreatic triacylglycerol lipase P16233 PNLIP Patatin-like phospholipase domain-containing protein 2 Q96AD5 PNPLA2 Patatin-like phospholipase domain-containing protein 3 Q9NST1 PNPLA3 Patatin-like phospholipase domain-containing protein 4 P41247 PNPLA4 Phosphatidate cytidylyltransferase 2 O95674 CDS2 Phosphatidylcholine:ceramide cholinephosphotransferase 1 Q86VZ5 SGMS1 Phosphatidylcholine:ceramide cholinephosphotransferase 2 Q8NHU3 SGMS2 Putative diacylglycerol O-acyltransferase 2-like protein 7 Q6IED9 DGAT2L7 Tensin-like C1 domain-containing phosphatase Q63HR2 TENC1