1.0 2016-09-30 22:37:14 UTC 2020-04-22 15:05:31 UTC BMDB0000829 BMDB00829 N-Stearoylsphingosine N-(1,3-Dihydroxyoctadec-4-en-2-yl)octadecanimidate C36H71NO3 565.968 565.54339515 N-(1,3-dihydroxyoctadec-4-en-2-yl)octadecanamide N-(1,3-dihydroxyoctadec-4-en-2-yl)octadecanamide 2304-81-6 CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40) VODZWWMEJITOND-UHFFFAOYSA-N belongs to the class of organic compounds known as ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid. Organic compounds Lipids and lipid-like molecules Sphingolipids Ceramides Ceramides Carbonyl compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Ceramide Fatty acyl Fatty amide Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp 9.78 ALOGPS logs -7.25 ALOGPS logp 11.75 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -1 ChemAxon iupac N-(1,3-dihydroxyoctadec-4-en-2-yl)octadecanamide ChemAxon average_mass 565.968 ChemAxon mono_mass 565.54339515 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC ChemAxon formula C36H71NO3 ChemAxon inchi InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40) ChemAxon inchikey VODZWWMEJITOND-UHFFFAOYSA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 174.98 ChemAxon polarizability 77.34 ChemAxon rotatable_bond_count 32 ChemAxon acceptor_count 3 ChemAxon donor_count 3 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::NmrOneD 5172 Specdb::NmrTwoD 2006 Specdb::CMs 37791 Specdb::MsMs 681415 Specdb::MsMs 681416 Specdb::MsMs 681417 FDB022270 2843374 3607830 Julina, Radomir; Herzig, Thomas; Bernet, Bruno; Vasella, Andrea. Enantioselective synthesis of D-erythro-sphingosine and of ceramide. Helvetica Chimica Acta (1986), 69(2), 368-73.