1.0 2010-04-08 22:11:07 UTC 2019-11-26 03:09:35 UTC FDB014157 N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol Isolated from the mushroom Grifola frondosa (maitake). N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol is found in mushrooms. N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol C44H89NO5 712.1812 711.674074963 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)hexacosanamide 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)hexacosanamide CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50) XNLFLZXNXQVPII-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 9.61 ALOGPS logs -7.06 ALOGPS solubility 6.23e-05 g/l ALOGPS logp 13.57 ChemAxon pka_strongest_acidic 12.7 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)hexacosanamide ChemAxon average_mass 712.1812 ChemAxon mono_mass 711.674074963 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC ChemAxon formula C44H89NO5 ChemAxon inchi InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50) ChemAxon inchikey XNLFLZXNXQVPII-UHFFFAOYSA-N ChemAxon polar_surface_area 110.02 ChemAxon refractivity 213.68 ChemAxon polarizability 96.71 ChemAxon rotatable_bond_count 41 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 754930 Specdb::CMs 754931 Specdb::CMs 754932 Specdb::CMs 754933 Specdb::CMs 754934 Specdb::CMs 754935 Specdb::CMs 754936 Specdb::CMs 754937 Specdb::CMs 754938 Specdb::CMs 754939 Specdb::CMs 754940 Specdb::CMs 754941 Specdb::CMs 754942 Specdb::CMs 754943 Specdb::CMs 754944 Specdb::CMs 754945 Specdb::CMs 754946 Specdb::CMs 754947 Specdb::CMs 754948 Specdb::CMs 754949 Specdb::MsMs 58371 Specdb::MsMs 58372 Specdb::MsMs 58373 Specdb::MsMs 114300 Specdb::MsMs 114301 Specdb::MsMs 114302 Specdb::MsMs 2342619 Specdb::MsMs 2342620 Specdb::MsMs 2342621 Specdb::MsMs 2595928 Specdb::MsMs 2595929 Specdb::MsMs 2595930 HMDB35472 #<Reference:0x000055ce30261980> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322