1.0 2016-10-03 18:24:11 UTC 2020-04-22 15:46:22 UTC BMDB0011762 BMDB11762 Cer(d18:0/18:1(11Z)) (11Z)-N-[(2S)-1,3-Dihydroxyoctadecan-2-yl]octadec-11-enimidate Ceramide N-(11Z-Octadecenoyl)-sphinganine Ceramide(D18:0/18:1(11Z)) N-(11Z-Octadecenoyl)-dihydrosphingosine N-(11Z-Octadecenoyl)-D-erythro-sphinganine C36H71NO3 565.968 565.54339515 (11Z)-N-[(2S)-1,3-dihydroxyoctadecan-2-yl]octadec-11-enamide (11Z)-N-[(2S)-1,3-dihydroxyoctadecan-2-yl]octadec-11-enamide CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC 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/h13,15,34-35,38-39H,3-12,14,16-33H2,1-2H3,(H,37,40)/b15-13-/t34-,35?/m0/s1 URHLXWKKSRFRJJ-OCMQJCJTSA-N belongs to the class of organic compounds known as long-chain ceramides. These are ceramides bearing a long chain fatty acid. Organic compounds Lipids and lipid-like molecules Sphingolipids Ceramides Long-chain 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 Fatty acyl Fatty amide Hydrocarbon derivative Long-chain ceramide 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 9.79 ALOGPS logs -7.23 ALOGPS logp 11.6 ChemAxon pka_strongest_acidic 13.83 ChemAxon pka_strongest_basic -1 ChemAxon iupac (11Z)-N-[(2S)-1,3-dihydroxyoctadecan-2-yl]octadec-11-enamide ChemAxon average_mass 565.968 ChemAxon mono_mass 565.54339515 ChemAxon smiles CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC 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/h13,15,34-35,38-39H,3-12,14,16-33H2,1-2H3,(H,37,40)/b15-13-/t34-,35?/m0/s1 ChemAxon inchikey URHLXWKKSRFRJJ-OCMQJCJTSA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 175.13 ChemAxon polarizability 76.29 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::MsMs 1234684 Specdb::MsMs 1234685 Specdb::MsMs 1234686 Specdb::MsMs 1350169 Specdb::MsMs 1350170 Specdb::MsMs 1350171