{"ymdb_id":"YMDB01099","created_at":"2011-07-24T18:56:12.000Z","updated_at":"2016-09-08T18:36:16.000Z","name":"(2S,3S,4R)-2-aminoicosane-1,3,4-triol","cas":null,"state":null,"melting_point":null,"description":"Lipid identified in the yeast S. cerevisiae","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"23253706","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,3S,4R)-2-aminoicosane-1,3,4-triol","traditional_iupac":"(2S,3S,4R)-2-aminoicosane-1,3,4-triol","logp":"4.586827968333332","pka":"14.815152200058375","alogps_solubility":"1.05e-02 g/l","alogps_logp":"4.83","alogps_logs":"-4.52","acceptor_count":"4","donor_count":"4","rotatable_bond_count":"18","polar_surface_area":"86.71000000000001","refractivity":"101.49289999999999","polarizability":"45.41320031781528","formal_charge":"0","physiological_charge":"1","pka_strongest_basic":"8.908333300303687","pka_strongest_acidic":"13.447718983386185","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(+)-D-ribo-Phytosphingosine","[2S-(2R*,3R*,4S*)]-2-amino-1,3,4-Octadecanetriol","4-D-hydroxy-Sphinganine","4-D-Hydroxysphinganine","4D-Hydroxysphinganine","C18-Phytosphingosine","D-ribo-1,3,4-Trihydroxy-2-aminooctadecane","D-ribo-2-amino-1,3,4-Octadecanetriol","Phytosphingosine"],"pathways":[{"name":"Biosynthesis of unsaturated fatty acids","kegg_map_id":"01040"},{"name":"Biosynthesis of unsaturated fatty acids (tetracosanoyl-CoA)","kegg_map_id":null},{"name":"Biosynthesis of unsaturated fatty acids (docosanoyl)","kegg_map_id":null},{"name":"Biosynthesis of unsaturated fatty acids (icosanoyl)","kegg_map_id":null},{"name":"Biosynthesis of unsaturated fatty acids (stearoyl)","kegg_map_id":null},{"name":"Sphingolipid metabolism","kegg_map_id":"00600"}],"growth_conditions":[],"references":[{"pubmed_id":19174513,"citation":"Ejsing, C. S., Sampaio, J. L., Surendranath, V., Duchoslav, E., Ekroos, K., Klemm, R. W., Simons, K., Shevchenko, A. (2009). \"Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry.\" Proc Natl Acad Sci U S A 106:2136-2141."}],"proteins":[]}