{"ymdb_id":"YMDB01218","created_at":"2011-07-24T19:13:26.000Z","updated_at":"2016-10-17T22:34:51.000Z","name":"PI(12:0/0:0)","cas":null,"state":"Solid","melting_point":null,"description":"PI(12:0/0:0) is a lysophosphatidylinositol acid. Phosphatidylinositol are important lipids, both as a key membrane constituent and as a participant in essential metabolic processes, both directly and via a number of metabolites. Phosphatidylinositols are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to inositol (hexahydroxycyclohexane). Lysophosphatidylinositol acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. ","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Endoplasmic reticulum;Mitochondria","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"[(2R)-3-(dodecanoyloxy)-2-hydroxypropoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid","traditional_iupac":"(2R)-3-(dodecanoyloxy)-2-hydroxypropoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid","logp":"0.2947273276666672","pka":"12.339055972873332","alogps_solubility":"2.91e+00 g/l","alogps_logp":"1.00","alogps_logs":"-2.25","acceptor_count":"9","donor_count":"7","rotatable_bond_count":"18","polar_surface_area":"203.43999999999997","refractivity":"118.5724","polarizability":"54.072980101958116","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.4040034470113856","pka_strongest_acidic":"1.833538640840655","bioavailability":"0","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"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":[]}