1.0 2010-04-08 22:11:06 UTC 2019-11-26 03:09:35 UTC FDB014154 N-(2R-Hydroxydocosanoyl)-2S-amino-1,3S,4R-octadecanetriol Isolated from the mushroom Grifola frondosa (maitake). N-(2R-Hydroxydocosanoyl)-2S-amino-1,3S,4R-octadecanetriol is found in mushrooms. N-(2-Hydroxydocosanoyl)-4-hydroxysphinganine N-(2R-Hydroxydocosanoyl)-2S-amino-1,3S,4R-octadecanetriol Phytosphingosine-2-hydroxy-22:0, ceramide C40H81NO5 656.0748 655.611474707 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)docosanamide 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)docosanamide CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC InChI=1S/C40H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46) XJDLBNONNWFVMN-UHFFFAOYSA-N belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. Phytoceramides Organic compounds Lipids and lipid-like molecules Sphingolipids Ceramides Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monosaccharides N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols 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 Monosaccharide N-acyl-4-hydroxysphinganine N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide a plant ceramide V logp 9.14 ALOGPS logs -6.76 ALOGPS solubility 1.14e-04 g/l ALOGPS logp 11.79 ChemAxon pka_strongest_acidic 12.7 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)docosanamide ChemAxon average_mass 656.0748 ChemAxon mono_mass 655.611474707 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC ChemAxon formula C40H81NO5 ChemAxon inchi InChI=1S/C40H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46) ChemAxon inchikey XJDLBNONNWFVMN-UHFFFAOYSA-N ChemAxon polar_surface_area 110.02 ChemAxon refractivity 195.27 ChemAxon polarizability 88.12 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 652326 Specdb::CMs 652327 Specdb::CMs 652328 Specdb::CMs 652329 Specdb::CMs 652330 Specdb::CMs 652331 Specdb::CMs 652332 Specdb::CMs 652333 Specdb::CMs 652334 Specdb::CMs 652335 Specdb::CMs 652336 Specdb::CMs 652337 Specdb::CMs 652338 Specdb::CMs 652339 Specdb::CMs 652340 Specdb::CMs 652341 Specdb::CMs 652342 Specdb::CMs 652343 Specdb::CMs 652344 Specdb::CMs 652345 Specdb::CMs 652346 Specdb::CMs 652347 Specdb::CMs 652348 Specdb::CMs 652349 Specdb::CMs 652350 Specdb::MsMs 68805 Specdb::MsMs 68806 Specdb::MsMs 68807 Specdb::MsMs 126918 Specdb::MsMs 126919 Specdb::MsMs 126920 Specdb::MsMs 2338213 Specdb::MsMs 2338214 Specdb::MsMs 2338215 Specdb::MsMs 2624915 Specdb::MsMs 2624916 Specdb::MsMs 2624917 HMDB35469 #<Reference:0x000055ce315c6b10> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322