1.0 2020-03-30 17:50:15 UTC 2020-11-18 16:35:35 UTC CDB000899 DG(18:1(9Z)/18:0/0:0) DG(18:1(9Z)/18:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(9Z)/18:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. C39H74O5 623.0 622.5536 (2S)-3-hydroxy-2-(octadecanoyloxy)propyl octadec-9-enoate (2S)-3-hydroxy-2-(octadecanoyloxy)propyl octadec-9-enoate [H][C@](CO)(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C39H74O5/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/h17,19,37,40H,3-16,18,20-36H2,1-2H3/t37-/m0/s1 QFAYEXQEVKDUJW-QNGWXLTQSA-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 logp 10.35 ALOGPS logs -7.60 ALOGPS logp 13.42 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(octadecanoyloxy)propyl octadec-9-enoate ChemAxon average_mass 623.0 ChemAxon mono_mass 622.5536 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C39H74O5 ChemAxon inchi InChI=1S/C39H74O5/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/h17,19,37,40H,3-16,18,20-36H2,1-2H3/t37-/m0/s1 ChemAxon inchikey QFAYEXQEVKDUJW-QNGWXLTQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 187.22 ChemAxon polarizability 82.25 ChemAxon rotatable_bond_count 37 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 FDB024410