1.0 2010-04-08 22:11:07 UTC 2019-11-26 03:09:35 UTC FDB014156 N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol Isolated from the mushroom Grifola frondosa (maitake). N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol is found in mushrooms. N-(2-Hydroxypentacosanoyl)-4-hydroxysphinganine N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol Phytosphingosine-2-hydroxy-25:0, ceramide C43H87NO5 698.1546 697.658424899 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)pentacosanamide 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)pentacosanamide CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49) YADUGDLSXPPFIP-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 9.51 ALOGPS logs -7.02 ALOGPS solubility 6.60e-05 g/l ALOGPS logp 13.13 ChemAxon pka_strongest_acidic 12.7 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)pentacosanamide ChemAxon average_mass 698.1546 ChemAxon mono_mass 697.658424899 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC ChemAxon formula C43H87NO5 ChemAxon inchi InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49) ChemAxon inchikey YADUGDLSXPPFIP-UHFFFAOYSA-N ChemAxon polar_surface_area 110.02 ChemAxon refractivity 209.08 ChemAxon polarizability 94.61 ChemAxon rotatable_bond_count 40 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 746870 Specdb::CMs 746871 Specdb::CMs 746872 Specdb::CMs 746873 Specdb::CMs 746874 Specdb::CMs 746875 Specdb::CMs 746876 Specdb::CMs 746877 Specdb::CMs 746878 Specdb::CMs 746879 Specdb::CMs 746880 Specdb::CMs 746881 Specdb::CMs 746882 Specdb::CMs 746883 Specdb::CMs 746884 Specdb::CMs 746885 Specdb::CMs 746886 Specdb::CMs 746887 Specdb::CMs 746888 Specdb::CMs 746889 Specdb::MsMs 80538 Specdb::MsMs 80539 Specdb::MsMs 80540 Specdb::MsMs 141432 Specdb::MsMs 141433 Specdb::MsMs 141434 Specdb::MsMs 2683344 Specdb::MsMs 2683345 Specdb::MsMs 2683346 Specdb::MsMs 3021657 Specdb::MsMs 3021658 Specdb::MsMs 3021659 HMDB35471 #<Reference:0x000055ce305b8980> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322