{"ymdb_id":"YMDB01098","created_at":"2011-07-24T18:56:07.000Z","updated_at":"2016-09-08T18:36:16.000Z","name":"(2S,3S,4R)-2-aminohexadecane-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":"11312307","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,3S,4R)-2-aminohexadecane-1,3,4-triol","traditional_iupac":"(2S,3S,4R)-2-aminohexadecane-1,3,4-triol","logp":"2.808553308333333","pka":"14.815152200058375","alogps_solubility":"2.88e-01 g/l","alogps_logp":"3.00","alogps_logs":"-3.00","acceptor_count":"4","donor_count":"4","rotatable_bond_count":"14","polar_surface_area":"86.71000000000001","refractivity":"83.0889","polarizability":"36.80672649085119","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":["(4R)-Hydroxyhexadecasphinganine","Hexadecaphytosphingosine"],"pathways":[],"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":[]}