1.0 2020-04-03 05:42:10 UTC 2020-04-03 05:42:12 UTC FDB097424 Cer(d18:0/20:1(11Z)) C38H75NO3 594.022 593.574695279 (11Z)-N-[(2S)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide (11Z)-N-[(2S)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,39,42)/b18-17-/t36-,37?/m0/s1 PULBITQLTXYVQX-VQNGLQQLSA-N belongs to the class of organic compounds known as long-chain ceramides. These are ceramides bearing a long chain fatty acid. Long-chain ceramides Organic compounds Lipids and lipid-like molecules Sphingolipids Ceramides Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty amide Hydrocarbon derivative Long-chain ceramide N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide logp 10.04 ALOGPS logs -7.35 ALOGPS solubility 2.64e-05 g/l ALOGPS logp 12.49 ChemAxon pka_strongest_acidic 13.83 ChemAxon pka_strongest_basic -1 ChemAxon iupac (11Z)-N-[(2S)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide ChemAxon average_mass 594.022 ChemAxon mono_mass 593.574695279 ChemAxon smiles CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C38H75NO3 ChemAxon inchi InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,39,42)/b18-17-/t36-,37?/m0/s1 ChemAxon inchikey PULBITQLTXYVQX-VQNGLQQLSA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 184.33 ChemAxon polarizability 80.49 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Milk (Cow) Type 2 specific 55.73175 314.0 0.07 uM