1.0 2016-10-03 18:24:18 UTC 2020-04-22 15:46:24 UTC BMDB0011768 BMDB11768 Cer(d18:0/24:0) N-[(2S)-1,3-Dihydroxyoctadecan-2-yl]tetracosanimidate Ceramide N-(Tetracosanoyl)-sphinganine Ceramide(D18:0/24:0) N-(Tetracosanoyl)-dihydrosphingosine N-(Tetracosanoyl)-D-erythro-sphinganine C42H85NO3 652.146 651.652945601 N-[(2S)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide N-[(2S)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC InChI=1S/C42H85NO3/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/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41?/m0/s1 BPLYVSYSBPLDOA-KCXVWBLISA-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 10.25 ALOGPS logs -7.46 ALOGPS logp 14.63 ChemAxon pka_strongest_acidic 13.83 ChemAxon pka_strongest_basic -1 ChemAxon iupac N-[(2S)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide ChemAxon average_mass 652.146 ChemAxon mono_mass 651.652945601 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC ChemAxon formula C42H85NO3 ChemAxon inchi InChI=1S/C42H85NO3/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/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41?/m0/s1 ChemAxon inchikey BPLYVSYSBPLDOA-KCXVWBLISA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 201.62 ChemAxon polarizability 90.65 ChemAxon rotatable_bond_count 39 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 1254400 Specdb::MsMs 1254401 Specdb::MsMs 1254402 Specdb::MsMs 1369603 Specdb::MsMs 1369604 Specdb::MsMs 1369605