1.0 2016-10-03 18:24:27 UTC 2020-04-22 15:46:27 UTC BMDB0011775 BMDB11775 Cer(d18:1/22:1(13Z)) (13Z)-N-[(2S)-1,3-Dihydroxyoctadec-4-en-2-yl]docos-13-enimidate Ceramide N-(13Z-Docosenoyl)-sphing-4-enine Ceramide(D18:1/22:1(13Z)) N-(13Z-Docosenoyl)-sphingosine N-(13Z-Docosenoyl)-D-erythro-sphingosine N-(13Z-Docosenoyl)-4-sphingenine N-(13Z-Docosenoyl)-D-sphingosine N-(13Z-Docosenoyl)-sphingenine N-(13Z-Docosenoyl)-erythro-4-sphingenine C40H77NO3 620.06 619.590345343 (13Z)-N-[(2S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docos-13-enamide (13Z)-N-[(2S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docos-13-enamide CCCCCCCCCCCCC\C=C\C(O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39?/m0/s1 YHMJTZZWEXBHQK-AEQXCJTNSA-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 10.28 ALOGPS logs -7.52 ALOGPS logp 13.17 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -1 ChemAxon iupac (13Z)-N-[(2S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docos-13-enamide ChemAxon average_mass 620.06 ChemAxon mono_mass 619.590345343 ChemAxon smiles CCCCCCCCCCCCC\C=C\C(O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C40H77NO3 ChemAxon inchi InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39?/m0/s1 ChemAxon inchikey YHMJTZZWEXBHQK-AEQXCJTNSA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 194.5 ChemAxon polarizability 83.23 ChemAxon rotatable_bond_count 35 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 1307038 Specdb::MsMs 1307039 Specdb::MsMs 1307040 Specdb::MsMs 1421548 Specdb::MsMs 1421549 Specdb::MsMs 1421550