{"ymdb_id":"YMDB16198","created_at":"2016-09-12T18:22:22.000Z","updated_at":"2016-10-17T22:34:42.000Z","name":"PIP2(18:0/20:4(5Z,8Z,11Z,14Z))","cas":null,"state":"Solid","melting_point":null,"description":null,"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":"{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid","traditional_iupac":"[(4S,6S)-2,3,5-trihydroxy-4-{[hydroxy(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxyphosphoryl]oxy}-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid","logp":"9.966649190666669","pka":"1.2072584645996236","alogps_solubility":"2.42e-02 g/l","alogps_logp":"6.00","alogps_logs":"-4.64","acceptor_count":"13","donor_count":"8","rotatable_bond_count":"44","polar_surface_area":"302.56999999999994","refractivity":"264.386","polarizability":"112.06362743201566","formal_charge":"0","physiological_charge":"-5","pka_strongest_basic":"-3.6679537745918793","pka_strongest_acidic":"0.6267671624744735","bioavailability":"0","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Stress-activated signalling pathways: cell wall stress test 1","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-27T01:34:44.000Z","updated_at":"2011-05-27T15:01:15.000Z","name":"Probable phosphatidylinositol-4-phosphate 5-kinase MSS4","uniprot_id":"P38994","uniprot_name":"MSS4_YEAST","enzyme":true,"transporter":false,"gene_name":"MSS4","num_residues":779,"molecular_weight":"89319.60156","theoretical_pi":"9.77","general_function":"Involved in phosphatidylinositol phosphate kinase activity","specific_function":"Catalyzes the phosphorylation of phosphatidylinositol-4- phosphate on the fifth hydroxyl of the myo-inositol ring, to form phosphatidylinositol-4,5-biphosphate. Acts downstream of STT4, but in a pathway that does not involve PKC1. May be involved in the organization of the actin cytoskeleton","reactions":[{"id":1854,"direction":"\u003c\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2055,"direction":"\u003e","locations":"cytoplasm;cell envelope","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2629,"direction":"\u003e","locations":null,"altext":"ATP + 1-phosphatidyl-1D-myo-inositol 4-phosphate = ADP + 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":34399,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R026915","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"D13716","genbank_protein_id":"493719","gene_card_id":"MSS4","chromosome_location":"chromosome 4","locus":"YDR208W","synonyms":["1-phosphatidylinositol-4-phosphate kinase","Diphosphoinositide kinase","PIP5K"],"enzyme_classes":["2.7.1.68"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" lipid kinase activity"},{"category":"Function","description":" phosphatidylinositol phosphate kinase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" organophosphate metabolic process"},{"category":"Process","description":" phospholipid metabolic process"},{"category":"Process","description":" glycerophospholipid metabolic process"},{"category":"Process","description":" phosphoinositide metabolic process"},{"category":"Process","description":" phosphatidylinositol metabolic process"}],"pfams":[{"name":"PIP5K","identifier":"PF01504"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Stress-activated signalling pathways: cell wall stress test 1","kegg_map_id":null}],"gene_sequence":"ATGTCAGTCTTGCGATCACAACCTCCTTCAGTTGTACCGCTACATCTGACAACATCCACCAGTCGCAAAACAGAACAGGAACCATCGCTATTGCACTCTGCAATAATTGAGCGACATCAAGACCGTTCGGTGCCGAATTCGAATTCGAATCCGGATTCGAACCATCGAATAAAAAAGGATCGCAATAATCACACTAGCTACCATTCTTCATCGAATTCGGAGTCAAACATGGAAAGTCCTCGCTTGTCAGATGGTGAGTCTTCCACTCCGACCTCTATTGAAGAGTTAAACCCAACAATAAATAATTCGAGGCTGGTGAAGAGAAACTACTCAATATCAATTGATCCTTTGCATGACAACAGCAATAATAATACGGATGATGATCATCCAAACACCATAACTTCTCCCCGACCAAATAGCACTAGTAACAAGGAAATGCAGAAATATAGTTTTCCCGAAGGTAAGGAGTCGAAGAAAATAACAACACCCTCGTTAAACTCGAATAATTGTTTGGATTTGGACAATTCCAGTCTTGTTCACACAGATTCGTATATACAAGACTTAAATGACGATCATATTTTACTAAACAAGCGCGTTTCGAGGCGATCTTCCAGAATATCGGCAGTAACAGCAACTTCCACGACAATTAAGCAAAGAAGAAATACTCAGGATTCAAACCTGCCCAATATTCCCTTTCACGCTTCCAAGCATTCTCAAATTCTACCTATGGATGATTCAGATGTAATAAAATTGGCCAATGGAGATACCAGCATGAAACCAAATTCTGCTACTAAAATTAGTCACTCAATGACTTCTTTGCCTCTTCACCCACTTCCACAACCTTCTCAAAAGTCAAAGCAATATCATATGATATCCAAATCAACCACTTCTTTGCCGCCAGAGAATGACCACTACTATCAACACAGTCGTGGCACCAACCATAATCACGCTGCTAATGCTGCTGCTGTTAATAATAATACTACTACTACTACCGCTGCTACGGGTCTGAAAAGATCAGAGTCTGCAACGGCAGAAATTAAGAAGATGAGACAATCTTTGCTGCATAAAAGAGAAATGAAAAGGAAAAGAAAAACATTTTTGGTGGATGACGATCGTGTTTTGATCGGTAATAAAGTCAGTGAAGGCCATGTCAACTTTATTATAGCTTATAACATGCTAACTGGTATTCGTGTCGCAGTGTCACGTTGTTCTGGCATAATGAAACCTTTAACTCCGGCAGACTTTAGATTTACGAAGAAGCTTGCCTTTGATTATCACGGAAATGAATTGACCCCTTCTTCTCAGTATGCATTTAAGTTTAAGGACTACTGTCCCGAAGTCTTTAGGGAACTTCGTGCATTATTCGGCTTAGACCCTGCTGATTATTTGGTTTCGTTAACTTCCAAGTACATTTTGAGTGAGTTGAACTCGCCAGGTAAAAGTGGTTCATTTTTTTATTATTCGAGAGATTACAAATATATTATCAAGACCATACATCATTCTGAGCATATTCATCTGAGAAAGCACATACAAGAATACTATAACCATGTAAGAGACAATCCAAACACTTTGATTTGTCAATTTTATGGTTTGCATAGAGTGAAAATGCCTATATCGTTTCAAAATAAAATTAAGCATCGGAAAATTTACTTCCTAGTCATGAATAACTTATTTCCACCACACTTAGACATTCACATTACTTATGATTTAAAAGGTTCCACATGGGGCCGTTTTACCAATTTGGATAAAGAAAGGTTGGCGAAAGATAGATCATATAGGCCTGTGATGAAAGATTTAAATTGGCTTGAAGAAGGTCAGAAAATTAAATTGGGTCCATTGAAGAAGAAGACTTTTTTGACACAGCTGAAAAAAGATGTGGAATTGCTTGCTAAATTGAATACAATGGACTATTCCTTGTTAATTGGCATTCATGACATCAATAAAGCTAAAGAAGACGACTTACAATTGGCGGATACGGCATCTATTGAGGAGCAACCACAGACTCAAGGACCCATAAGAACCGGTACCGGAACGGTAGTACGACATTTTTTTAGAGAGTTTGAAGGTGGAATTCGAGCATCTGATCAATTCAACAATGATGTGGATTTGATTTATTACGTGGGGATAATCGATTTCTTGACTAATTACTCAGTTATGAAGAAATTAGAAACGTTTTGGAGAAGTCTACGCCATGATACCAAGTTGGTGAGTGCCATACCTCCAAGAGACTACGCCAATAGGTTTTACGAATTCATAGAAGATTCTGTAGATCCTCTGCCCCAGAAAAAAACTCAATCGTCGTATAGAGACGACCCTAACCAGAAAAATTATAAAGACTGA","protein_sequence":"MSVLRSQPPSVVPLHLTTSTSRKTEQEPSLLHSAIIERHQDRSVPNSNSNPDSNHRIKKDRNNHTSYHSSSNSESNMESPRLSDGESSTPTSIEELNPTINNSRLVKRNYSISIDPLHDNSNNNTDDDHPNTITSPRPNSTSNKEMQKYSFPEGKESKKITTPSLNSNNCLDLDNSSLVHTDSYIQDLNDDHILLNKRVSRRSSRISAVTATSTTIKQRRNTQDSNLPNIPFHASKHSQILPMDDSDVIKLANGDTSMKPNSATKISHSMTSLPLHPLPQPSQKSKQYHMISKSTTSLPPENDHYYQHSRGTNHNHAANAAAVNNNTTTTTAATGLKRSESATAEIKKMRQSLLHKREMKRKRKTFLVDDDRVLIGNKVSEGHVNFIIAYNMLTGIRVAVSRCSGIMKPLTPADFRFTKKLAFDYHGNELTPSSQYAFKFKDYCPEVFRELRALFGLDPADYLVSLTSKYILSELNSPGKSGSFFYYSRDYKYIIKTIHHSEHIHLRKHIQEYYNHVRDNPNTLICQFYGLHRVKMPISFQNKIKHRKIYFLVMNNLFPPHLDIHITYDLKGSTWGRFTNLDKERLAKDRSYRPVMKDLNWLEEGQKIKFGPLKKKTFLTQLKKDVELLAKLNTMDYSLLIGIHDINKAKEDDLQLADTASIEEQPQTQGPIRTGTGTVVRHFFREFEGGIRASDQFNNDVDLIYYVGIIDFLTNYSVMKKLETFWRSLRHDTKLVSAIPPRDYANRFYEFIEDSVDPLPQKKTQSSYRDDPNQKNYKD"}]}