1.0 2016-09-30 22:37:16 UTC 2020-04-22 15:05:32 UTC BMDB0000831 BMDB00831 N-Lignoceroylsphingosine N-(1,3-Dihydroxyoctadec-4-en-2-yl)tetracosanimidate C42H83NO3 650.13 649.637295537 N-(1,3-dihydroxyoctadec-4-en-2-yl)tetracosanamide N-(1,3-dihydroxyoctadec-4-en-2-yl)tetracosanamide 34435-05-7 CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46) ZJVVOYPTFQEGPH-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 10.35 ALOGPS logs -7.46 ALOGPS logp 14.42 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -1 ChemAxon iupac N-(1,3-dihydroxyoctadec-4-en-2-yl)tetracosanamide ChemAxon average_mass 650.13 ChemAxon mono_mass 649.637295537 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC ChemAxon formula C42H83NO3 ChemAxon inchi InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46) ChemAxon inchikey ZJVVOYPTFQEGPH-UHFFFAOYSA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 202.58 ChemAxon polarizability 90.21 ChemAxon rotatable_bond_count 38 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::MsMs 640132 Specdb::MsMs 640133 Specdb::MsMs 640134 2558952 FDB022272 3311013 Shoyama, Yukihiro; Okabe, Hikaru; Kishimoto, Yasuo; Costello, Catherine. Total synthesis of stereospecific sphingosine and ceramide. Journal of Lipid Research (1978), 19(2), 250-9.