1.0 2010-04-08 22:11:06 UTC 2019-11-26 03:09:35 UTC FDB014155 N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol Isolated from the mushroom Grifola frondosa (maitake) and the truffle Tuber indicum. N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol is found in mushrooms. N-(2-Hydroxytricosanoyl)-4-hydroxysphinganine N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol Phytosphingosine-2-hydroxy-23:0, ceramide C41H83NO5 670.1014 669.627124771 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)tricosanamide 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)tricosanamide CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC InChI=1S/C41H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36H2,1-2H3,(H,42,47) LXCDJSOYWPJYDC-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 9.30 ALOGPS logs -6.85 ALOGPS solubility 9.52e-05 g/l ALOGPS logp 12.24 ChemAxon pka_strongest_acidic 12.7 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)tricosanamide ChemAxon average_mass 670.1014 ChemAxon mono_mass 669.627124771 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC ChemAxon formula C41H83NO5 ChemAxon inchi InChI=1S/C41H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36H2,1-2H3,(H,42,47) ChemAxon inchikey LXCDJSOYWPJYDC-UHFFFAOYSA-N ChemAxon polar_surface_area 110.02 ChemAxon refractivity 199.87 ChemAxon polarizability 90.29 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 701731 Specdb::CMs 701732 Specdb::CMs 701733 Specdb::CMs 701734 Specdb::CMs 701735 Specdb::CMs 701736 Specdb::CMs 701737 Specdb::CMs 701738 Specdb::CMs 701739 Specdb::CMs 701740 Specdb::CMs 701741 Specdb::CMs 701742 Specdb::CMs 701743 Specdb::CMs 701744 Specdb::CMs 701745 Specdb::CMs 701746 Specdb::CMs 701747 Specdb::CMs 701748 Specdb::CMs 701749 Specdb::CMs 701750 Specdb::CMs 701751 Specdb::CMs 701752 Specdb::CMs 701753 Specdb::CMs 701754 Specdb::CMs 701755 Specdb::MsMs 12431 Specdb::MsMs 12432 Specdb::MsMs 12433 Specdb::MsMs 19103 Specdb::MsMs 19104 Specdb::MsMs 19105 Specdb::MsMs 2405447 Specdb::MsMs 2405448 Specdb::MsMs 2405449 Specdb::MsMs 2530806 Specdb::MsMs 2530807 Specdb::MsMs 2530808 HMDB35470 #<Reference:0x000055ce31e2d8d0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322