{"ymdb_id":"YMDB00711","created_at":"2011-05-29T18:45:35.000Z","updated_at":"2016-09-08T18:35:48.000Z","name":"1D-Myo-Inositol 1,3,4,5-tetrakisphosphate","cas":"102850-29-3","state":"Solid","melting_point":null,"description":"1D-Myo-Inositol 1,3,4,5-tetrakisphosphate (IP4) is an intermediate in inositol pyrophosphates biosynthesis pathway. IP4 is the precursor to IP5 in 1D-myo-inositol hexakisphosphate (IP6) biosynthesis pathway. IP6 is one of the most prevalent forms of phosphorylated inositols in the eukaryotic cell. It is a strong chelator of important minerals such as calcium, magnesium, iron and zinc. The main function of IP6 in yeast is related to regulation of mRNA export from the nucleus. [Biocyc PWY-6369 and PWY-6361]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"nucleus","synthesis_reference":"DeSolms, S. Jane; Vacca, Joseph P.; Huff, Joel R.  The total synthesis of (±)-myo-inositol-1,3,4-triphosphate, (±)-myo-inositol-2,4,5-triphosphate and (±)-myo-inositol-1,3,4,5-tetraphosphate.    Tetrahedron Letters  (1987),  28(39),  4503-6. ","chebi_id":"16783","hmdb_id":"HMDB01059","kegg_id":"C01272","pubchem_id":"107758","cs_id":"23097114","foodb_id":null,"wikipedia_link":".","biocyc_id":"CPD-506","iupac":"{[(1S,2S,3S,4S,5R,6S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid","traditional_iupac":"[(1S,2S,3S,4S,5R,6S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid","logp":"-4.2762737773333335","pka":"0.7848026366757588","alogps_solubility":"1.15e+01 g/l","alogps_logp":"-0.45","alogps_logs":"-1.64","acceptor_count":"14","donor_count":"10","rotatable_bond_count":"8","polar_surface_area":"307.5","refractivity":"79.2666","polarizability":"34.18661166529744","formal_charge":"0","physiological_charge":"-8","pka_strongest_basic":null,"pka_strongest_acidic":"0.3270363628112616","bioavailability":"0","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,3,4,5-tetrakis(dihydrogen phosphate) myo-Inositol","1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosphate)","1D-myo-Inositol 1,3,4,5-tetrakisphosphate","1D-Myo-inositol 1,3,4,5-tetrakisphosphic acid","d-myo-inositol 1,3,4,5-tetrakisphosphate","Inositol 1,3,4,5-tetrakis(phosphate)","inositol 1,3,4,5-tetrakisphosphate","inositol-(1,3,4,5)-tetrakisphosphate","Inositol-1,3,4,5-tetrakisphosphate","Inositol-1,3,4,5-tetraphosphate","myo-Inositol 1,3,4,5-tetrakis(phosphate)","myo-Inositol 1,3,4,5-tetraphosphate","myo-Inositol-1,3,4,5-tetrakisphosphate","myo-Inositol, 1,3,4,5-tetrakis(dihydrogen phosphate)"],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."},{"pubmed_id":15740635,"citation":"Xia, H. J., Yang, G. (2005). \"Inositol 1,4,5-trisphosphate 3-kinases: functions and regulations.\" Cell Res 15:83-91."},{"pubmed_id":14517551,"citation":"Pouillon, V., Hascakova-Bartova, R., Pajak, B., Adam, E., Bex, F., Dewaste, V., Van Lint, C., Leo, O., Erneux, C., Schurmans, S. (2003). \"Inositol 1,3,4,5-tetrakisphosphate is essential for T lymphocyte development.\" Nat Immunol 4:1136-1143."},{"pubmed_id":11956213,"citation":"Dubois, E., Scherens, B., Vierendeels, F., Ho, M. M., Messenguy, F., Shears, S. B. (2002). \"In Saccharomyces cerevisiae, the inositol polyphosphate kinase activity of Kcs1p is required for resistance to salt stress, cell wall integrity, and vacuolar morphogenesis.\" J Biol Chem 277:23755-23763."}],"proteins":[{"created_at":"2011-05-24T19:50:13.000Z","updated_at":"2011-05-27T14:55:59.000Z","name":"Inositol polyphosphate multikinase","uniprot_id":"P07250","uniprot_name":"IPMK_YEAST","enzyme":true,"transporter":false,"gene_name":"ARG82","num_residues":355,"molecular_weight":"40352.5","theoretical_pi":"4.33","general_function":"Involved in inositol trisphosphate 3-kinase activity","specific_function":"Has kinase activity and phosphorylates inositol-1,4,5- trisphosphate (Ins(1,4,5)P3) and inositol-1,3,4,5- tetrakisphosphate (Ins(1,3,4,5)P4). Has low kinase activity towards InsP6. Originally it was proposed that the ARGRI and ARGRIII proteins are more likely to be involved in the control of ARGRII activity","reactions":[{"id":1661,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1662,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1663,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1664,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2276,"direction":"\u003e","locations":null,"altext":"ATP + 1D-myo-inositol 1,4,5-trisphosphate = ADP + 1D-myo-inositol 1,4,5,6-tetrakisphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2277,"direction":"\u003e","locations":null,"altext":"ATP + 1D-myo-inositol 1,4,5,6-tetrakisphosphate = ADP + 1D-myo-inositol 1,3,4,5,6-pentakisphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14818,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007006","source":"Smpdb"},{"id":14819,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007031","source":"Smpdb"},{"id":14820,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007032","source":"Smpdb"},{"id":14821,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007033","source":"Smpdb"},{"id":14822,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007034","source":"Smpdb"},{"id":14823,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007035","source":"Smpdb"},{"id":14824,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007036","source":"Smpdb"},{"id":14825,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007037","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"X05328","genbank_protein_id":"3376","gene_card_id":"ARG82","chromosome_location":"chromosome 4","locus":"YDR173C","synonyms":["IPMK","Arginine metabolism regulation protein III"],"enzyme_classes":["2.7.1.151"],"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":" inositol or phosphatidylinositol kinase activity"},{"category":"Function","description":" inositol trisphosphate kinase activity"},{"category":"Function","description":" inositol trisphosphate 3-kinase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"IPK","identifier":"PF03770"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"}],"gene_sequence":"ATGGATACGGTAAACAATTATAGGGTTTTAGAGCATAAAGCTGCTGGCCACGACGGTACTCTAACAGACGGTGATGGATTGCTCATCTTTAAACCGGCCTTTCCGCAGGAACTGGAATTCTACAAAGCCATACAAGTGAGAGATGTGAGTCGAAGAAAGTCTTCGGCTGATGGAGATGCTCCCTTGTGCTCTTGGATGCCCACGTATCTTGGAGTCTTGAATGAAGGGGCAAAAATCGAGCAAAGTGGCGATGCTGCGCTTCTGAAGATAGATGAGCGGTTAAGTGATTCCACTGATAATCTTGATTCAATACCTGTAAAGTCTGAGAAGTCCAAGCAATACCTCGTTTTAGAAAATCTACTATATGGATTTAGTAAACCTAATATACTTGATATAAAATTAGGCAAAACTTTGTATGATTCGAAGGCATCATTGGAAAAAAGAGAGAGAATGAAAAGAGTCAGTGAGACGACGACTTCAGGATCTTTGGGTTTCAGGATATGTGGCATGAAAATACAGAAAAATCCCTCTGTGCTGAATCAGCTTTCGCTCGAATATTACGAAGAAGAAGCAGACAGTGATTATATCTTTATAAACAAATTGTATGGTCGTTCAAGAACCGATCAAAATGTTTCAGATGCAATTGAACTTTATTTTAACAATCCTCATCTGTCGGATGCGAGAAAGCATCAACTGAAGAAAACATTTTTGAAAAGATTGCAGTTGTTTTATAATACTATGCTAGAAGAAGAAGTTAGAATGATATCAAGTAGTCTTTTGTTTATTTACGAAGGAGACCCGGAGCGATGGGAATTACTAAATGATGTTGACAAACTTATGCGAGATGATTTTATAGACGATGATGACGACGATGATGATAATGATGATGATGATGATGATGATGCCGAGGGAAGCAGCGAAGGACCAAAGGACAAAAAAACAACTGGTTCTTTGAGTTCCATGTCACTAATAGATTTTGCACATTCTGAAATAACGCCGGGGAAGGGTTATGATGAAAACGTGATTGAAGGAGTTGAAACCTTGCTAGATATTTTTATGAAATTCTAG","protein_sequence":"MDTVNNYRVLEHKAAGHDGTLTDGDGLLIFKPAFPQELEFYKAIQVRDVSRRKSSADGDAPLCSWMPTYLGVLNEGAKIEQSGDAALLKIDERLSDSTDNLDSIPVKSEKSKQYLVLENLLYGFSKPNILDIKLGKTLYDSKASLEKRERMKRVSETTTSGSLGFRICGMKIQKNPSVLNQLSLEYYEEEADSDYIFINKLYGRSRTDQNVSDAIELYFNNPHLSDARKHQLKKTFLKRLQLFYNTMLEEEVRMISSSLLFIYEGDPERWELLNDVDKLMRDDFIDDDDDDDDNDDDDDDDAEGSSEGPKDKKTTGSLSSMSLIDFAHSEITPGKGYDENVIEGVETLLDIFMKF"},{"created_at":"2011-05-27T08:00:14.000Z","updated_at":"2011-05-27T15:01:29.000Z","name":"Inositol-1,4,5-trisphosphate 5-phosphatase 1","uniprot_id":"P40559","uniprot_name":"INP51_YEAST","enzyme":true,"transporter":false,"gene_name":"INP51","num_residues":946,"molecular_weight":"108429.0","theoretical_pi":"6.7","general_function":"Involved in inositol or phosphatidylinositol phosphatase activity","specific_function":"Controls the cellular levels and subcellular distribution of phosphatidylinositol 3-phosphate and phosphatidylinositol 4,5-bisphosphate. Plays an essential role in a TGN (trans Golgi network)-to-early endosome pathway. Involved in endocytosis and acts as a negative regulator of the Slm pathway which modulates polarized actin assembly and growth","reactions":[{"id":1847,"direction":"\u003c\u003e","locations":"endoplasmic reticulum;cytoplasm;cell envelope","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1848,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2788,"direction":"\u003e","locations":"Cytoplasm.;Cytoplasm, cytoskeleton, actin patch; Cytoplasmic side;Endoplasmic reticulum membrane; Peripheral membrane protein","altext":"1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + H(2)O = 1-phosphatidyl-1D-myo-inositol 4-phosphate + phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14838,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007015","source":"Smpdb"},{"id":14839,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007021","source":"Smpdb"},{"id":14840,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007039","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm, cytoskeleton, actin patch","genbank_gene_id":"Z38062","genbank_protein_id":"557848","gene_card_id":"INP51","chromosome_location":"chromosome 9","locus":"YIL002C","synonyms":["Synaptojanin-like protein 1"],"enzyme_classes":["3.1.3.36"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Function","description":" phosphoric ester hydrolase activity"},{"category":"Function","description":" phosphatase activity"},{"category":"Function","description":" inositol or phosphatidylinositol phosphatase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"Exo_endo_phos","identifier":"PF03372"},{"name":"Syja_N","identifier":"PF02383"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"gene_sequence":"ATGAGACTCTTCATCGGTAGAAGATCACGGTCGATTGTAATATCTTCCAACAACTACTGTTTATCCTTCCAGCGTTTGCGCAGCATACCAGGTGCCAGTTCTCAGCAGCGTCAATTAAGTAAAACTCCTAGCGTAACAATCAAGTCCTACCCTGACACAGATCTTTCAAGTGATAGTAACTATCTCGAAGTCAAAAGTTGCATATTTAATGGATTATTAGGGCTCGTTTGTCTTAATGGTGATATATATGTTGCCGTCATATCTGGTGTTCAGAATGTTGGGTTTCCTCGATGGAAACTGATAGATCATCAAGTTAGGCCTTCGGAGAGCATTTATAAAGTATTGGATGTTGACTTTTACAGCTTAGAAAATGATGTTTTCGACTACCTCCTCTGCGAGAGATCAGAGCAAAACTATGATAAATTGATTCATGAGCATCCTTGCGGCCCCCTGAAAAAACTGTTTAGTGATGGAACATTCTACTATTCTAGAGATTTCGACATCTCTAATATCGTGAAAAACCATGGTTTATCACATAACTTAGAATATACCGTAGATAATCAAGATTTATCATTTATTTGGAATGCTAACTTAGCAAGTGAGGTAATCAACTGGAGAAGCAAGATTTCAAATGAGGAGAAACAACTTTTTGCCAACGCAGGGTTCTTAACATTTGTAATTCGGGGTTATTGCAAGACAGCATTAATAGAAGACGGCCCAAATACAGCCTCTATAACCATTATTTCCAGAATTTCGACTGAGAGCAAGCAGGATACGCTAGAATTGGAGGGTATTAGTGAAGATGGGAGAGTGTCGCTATTTGTTGAGACAGAAATTGTAGTAACCACAGAAAAGTTTATTTTTTCTTATACTCAAGTGAACGGAAGCATTCCTCTTTTTTGGGAATCTGTAGAAAGTCAACTGTTGTATGGAAAAAAAATTAAGGTAACAAAAGATTCTATTGAAGCTCAGGGAGCTTTTGACAGGCATTTTGATAATTTAACCTCAAAGTATGGTGTTGTGAGTATCGTTAATATCATAAAACCTAAAAGCGAATCACAAGAAAAGTTAGCACTGACGTACAAGGATTGTGCTGAATCAAAGGGAATAAAAATAACAAATATAGAATACAGCTCAAGCGTTCTGACAAAGTCTCCCCACAAATTACTTTATTTATTAAAACAGGATATTTACGAGTTTGGAGCGTTTGCCTATGATATCTCTAGGGGCATCTACTTTGCAAAACAAACGGGGGTATTAAGAATAAGCGCATTTGATTCAATTGAAAAACCTAACACAGTTGAAAGGTTAGTGAGCAAGGAGGTACTTGAATTAACCACAAATGAAATTGATGTATTTGAATTGACTTCCCCATTCTTGGACGCACATGATAAGCTATGGTCAGAAAACTATTACTGGCTTGATCGAACGTATACTAAGCACACGAAGAATTCTGGTAAATATACAAAGGTTTATTCGAAGTTATTTGGTTCCCGAGTTAGATTATACGACCCGCTCCATATCTACATCTCTCAGTATTTAAAGCAATTAAGGTCAAAATATACGTTTGAGAAAGACATCTCAATTTTTGCAGGTACATTTAATATAAGTGGTAAAATTCCAAAAGATGATATAAAAGATTGGATATTTCCAAAATCAATGTCCAAGGAGGATGAAATGGCTGATCTTTATGTTATCGGATTAGAAGAAGTGGTAGAACTTACCCCAGGTCATATGCTTGCTACCGATCCATATGTCCGACAATTTTGGGAGAAGAAGATATTAACACTATTAAATGGGCCCGGACGCAAAAAAAAATATATCCGTTTATGGAGTACACAGTTGGGTGGTATTTTACTATTATTATTCATGAATGAAACGGAATATTCCAAGGTAAAGCATATTGAGGGGGATGTTAAAAAAACCGGGTTTGGAGGAATGGCTTCTAATAAAGGAGCTGTCGCGGTTAGTTTTAAATACTCAGCTACAAGATTTTGCGTACTAGTATCTCATTTAGCGGCAGGCTTAGAAAATGTTGAACAAAGGCATAATGATTATAAGACGATTGCGAAAAGCATACGATTTTCTAAAGGATTACGAATAAAGGATCACGATGCAATTATTTGGATGGGCGATTTCAATTACAGAATATTGATGTCAAACGAAGATGTTAGACGAAAAATTGTTTCTAAAGAATATGCCAGCCTATTTGAAAAGGATCAACTTAATCAACAAATGATCGCAGGTGAGTCTTTTCCATATTTCCATGAAATGGCGATTGATTTCCCACCTACCTATAAATTCGACCCAGGAACTAAAAACTACGACACGAGCGAAAAAATGAGAATACCAGCATGGACTGATAGGATTTTAAGTAGGGGAGAAGTACTAGAACAGTTAGAATATAAATGCTGTGAAGATATACTATTTTCCGATCATCGGCCCGTATATGCCATATTTAGGGCTAGAGTGACTGTAGTGGATGAACAAAAAAAGACTACTTTGGGTACGCAAATCTACGAGAAGATTATGGAAAGGCTAGAGGGATTGGATGATGATGAGAAAATTGCAGTTTTGAGTGATGATGCATTTGTTATCGAAAGTTTTGAGGGCAGTGATTCGATAGCTGGCCCTACGCATTCTCCGACACCAATTCCCGAGCCCAAAAGAGGTAGAAAGTTACCACCACCTAGTTCGGATTTAAAAAAATGGTGGATTGGAAGTGGGAAGCAAGTTAAAGTAGTTCTTGACGTAGACCCGGCCGTTTACATGATTAATCCTAAAAGAGATCCCAATCCATTCGTTGAGAACGAAGATGAGCCACTTTTTATAGAAAGGTAA","protein_sequence":"MRLFIGRRSRSIVISSNNYCLSFQRLRSIPGASSQQRQLSKTPSVTIKSYPDTDLSSDSNYLEVKSCIFNGLLGLVCLNGDIYVAVISGVQNVGFPRWKLIDHQVRPSESIYKVLDVDFYSLENDVFDYLLCERSEQNYDKLIHEHPCGPLKKLFSDGTFYYSRDFDISNIVKNHGLSHNLEYTVDNQDLSFIWNANLASEVINWRSKISNEEKQLFANAGFLTFVIRGYCKTALIEDGPNTASITIISRISTESKQDTLELEGISEDGRVSLFVETEIVVTTEKFIFSYTQVNGSIPLFWESVESQLLYGKKIKVTKDSIEAQGAFDRHFDNLTSKYGVVSIVNIIKPKSESQEKLALTYKDCAESKGIKITNIEYSSSVLTKSPHKLLYLLKQDIYEFGAFAYDISRGIYFAKQTGVLRISAFDSIEKPNTVERLVSKEVLELTTNEIDVFELTSPFLDAHDKLWSENYYWLDRTYTKHTKNSGKYTKVYSKLFGSRVRLYDPLHIYISQYLKQLRSKYTFEKDISIFAGTFNISGKIPKDDIKDWIFPKSMSKEDEMADLYVIGLEEVVELTPGHMLATDPYVRQFWEKKILTLLNGPGRKKKYIRLWSTQLGGILLLLFMNETEYSKVKHIEGDVKKTGFGGMASNKGAVAVSFKYSATRFCVLVSHLAAGLENVEQRHNDYKTIAKSIRFSKGLRIKDHDAIIWMGDFNYRILMSNEDVRRKIVSKEYASLFEKDQLNQQMIAGESFPYFHEMAIDFPPTYKFDPGTKNYDTSEKMRIPAWTDRILSRGEVLEQLEYKCCEDILFSDHRPVYAIFRARVTVVDEQKKTTLGTQIYEKIMERLEGLDDDEKIAVLSDDAFVIESFEGSDSIAGPTHSPTPIPEPKRGRKLPPPSSDLKKWWIGSGKQVKVVLDVDPAVYMINPKRDPNPFVENEDEPLFIER"}]}