{"ymdb_id":"YMDB01138","created_at":"2011-07-24T19:05:29.000Z","updated_at":"2016-10-17T22:34:48.000Z","name":"IPC 18:0;3/20:0;0","cas":null,"state":"Solid","melting_point":null,"description":"IPC 18:0;3/20:0;0 is a Inositol-phosphoceramide (IPC). Insitol-phosphoceramides are complex sphingolipids which are formed in the inner leaflet of the Golgi apparatus. IPC may have a role in actin organization though the mechanism is unknown. The PIP\u003csup\u003e2\u003c/sup\u003e pathway has been shown to regulate synthesis of IPCs. Mannose inositol-phosphoceramide (MIPC) are formed from IPC by the addition of mannose. [PMID: 18296751]","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":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2S,3S,4R)-3,4-dihydroxy-2-icosanamidooctadecyl]oxy}({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid","traditional_iupac":"[(2S,3S,4R)-3,4-dihydroxy-2-icosanamidooctadecyl]oxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid","logp":"8.765702501333337","pka":"12.294346733240086","alogps_solubility":"1.55e-03 g/l","alogps_logp":"6.54","alogps_logs":"-5.74","acceptor_count":"10","donor_count":"9","rotatable_bond_count":"39","polar_surface_area":"226.46999999999997","refractivity":"227.44750000000005","polarizability":"101.84147313436364","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.441643190400076","pka_strongest_acidic":"1.8429068416755277","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":[]}