{"ymdb_id":"YMDB00715","created_at":"2011-05-29T18:46:04.000Z","updated_at":"2016-09-08T18:35:48.000Z","name":"1D-myo-inositol 3-phosphate","cas":"2831-74-5","state":"Solid","melting_point":"","description":"1D-Myo-Inositol 3-phosphate (1L-myo-inositol 1-phosphate) is involved in the sphingolipid metabolism. 1D-Myo-Inositol 3-phosphate is formed from glucose 6-phosphate in the biosynthesis of inositol. [Biocyc SPHINGOLIPID-SYN-PWY]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"mitochondrion;endoplasmic reticulum","synthesis_reference":null,"chebi_id":"18169","hmdb_id":"HMDB06814","kegg_id":"C04006","pubchem_id":"440194","cs_id":"24808130","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid","traditional_iupac":"myo-inositol 1-phosphate","logp":"-3.9055756833333333","pka":"6.194111788919007","alogps_solubility":"3.95e+01 g/l","alogps_logp":"-1.98","alogps_logs":"-0.82","acceptor_count":"8","donor_count":"7","rotatable_bond_count":"2","polar_surface_area":"167.91","refractivity":"46.6479","polarizability":"20.634480013236395","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-3.645813019693807","pka_strongest_acidic":"1.1625722061585555","bioavailability":"1","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1D-myo-Inositol 3-monophosphate","1L-myo-Inositol 1-phosphate","D-myo-Inositol 3-monophosphate","D-myo-Inositol 3-phosphate","Inositol 3-monophosphate","Inositol 3-phosphate","L-myo-Inositol 1-phosphate","myo-Inositol 3-monophosphate","myo-Inositol 3-phosphate"],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"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":17121274,"citation":"Nunez, L. R., Henry, S. A. (2006). \"Regulation of 1D-myo-inositol-3-phosphate synthase in yeast.\" Subcell Biochem 39:135-156."},{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[{"created_at":"2011-05-27T09:33:15.000Z","updated_at":"2011-05-27T15:01:30.000Z","name":"Inositol phosphosphingolipids phospholipase C","uniprot_id":"P40015","uniprot_name":"ISC1_YEAST","enzyme":true,"transporter":false,"gene_name":"ISC1","num_residues":477,"molecular_weight":"53939.89844","theoretical_pi":"7.58","general_function":"Involved in metal ion binding","specific_function":"Responsible for the hydrolysis of the phosphosphingolipids (IPS), inositol phosphorylceramide (IPC), mannosylinositol phosphorylceramide (MIPC), and mannosyldiinositol phosphorylceramide (M(IP)2C). Also active on sphingomyelin, but this activity is probably not physiologically relevant","reactions":[{"id":1672,"direction":"\u003c\u003e","locations":"mitochondrion;endoplasmic reticulum","altext":null,"export":true,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"399-417;425-449","pdb_id":null,"cellular_location":"Membrane; Multi-pass membrane protein","genbank_gene_id":"U18778","genbank_protein_id":"603611","gene_card_id":"ISC1","chromosome_location":"chromosome 5","locus":"YER019W","synonyms":["IPS phospholipase C","IPS-PLC","Neutral sphingomyelinase","N-SMase","nSMase"],"enzyme_classes":["3.1.4.-"],"go_classes":[],"pfams":[{"name":"Exo_endo_phos","identifier":"PF03372"}],"pathways":[],"gene_sequence":"ATGTACAACAGAAAAGACAGAGATGTTCACGAGAGGAAGGAAGATGGTCAATCTGAGTTTGAAGCACTGAACGGGACCAACGCAATTATGTCCGATAATAGTAAAGCGTATTCCATAAAGTTTCTGACCTTCAATACATGGGGGTTAAAATACGTCTCCAAACACCGTAAAGAAAGACTCAGAGCAATTGCTGATAAATTGGCGGGCCACTCAATGCTTACGCCAATATCTGACGAGTTGTTGCCCAATGGTGGAGATAGTAATGAAAACGAAGATTACGACGTGATTGCCTTACAAGAAATCTGGTGTGTGGAAGACTGGAAGTATCTAGCTTCTGCGTGTGCCTCCAAGTATCCGTATCAGCGTTTGTTCCATTCTGGTATTCTGACGGGGCCTGGGTTGGCCATACTGTCCAAGGTCCCGATAGAGTCGACCTTTCTTTACCGGTTCCCGATAAACGGTAGACCGAGTGCGGTGTTCCGTGGCGACTGGTACGTAGGGAAATCTATAGCAATCACCGTATTGAACACAGGAACCCGCCCCATTGCAATAATGAACAGTCACATGCACGCCCCATACGCCAAGCAGGGTGATGCCGCCTACTTGTGCCACAGATCTTGTCAGGCCTGGGATTTCAGCAGGCTCATTAAGCTTTACAGGCAGGCCGGTTATGCGGTGATTGTGGTGGGTGACTTAAACTCCAGACCGGGCTCACTGCCCCACAAATTTCTCACGCAGGAGGCCGGCCTGGTCGACTCCTGGGAGCAATTGCATGGGAAGCAAGACTTGGCGGTGATCGCTCGTCTGTCTCCATTGCAACAATTGCTTAAGGGCTGTACCACGTGCGATTCGCTGCTCAACACATGGAGGGCCCAAAGACAACCCGATGAGGCATGCAGGTTGGATTATGCTCTTATCGACCCTGATTTCTTGCAAACAGTAGACGCAGGTGTCAGGTTCACTGAACGGATCCCTCACCTGGACTGCAGTGTCTCTGACCATTTTGCATACTCATGCACCCTTAACATCGTCCCACAGGGCACAGAGTCCCGTCCATCCACCTCCGTTAAGCGTGCGAAGACTCATGATAGAGAGCTGATCTTGCAGAGATACTCCAACTACGAAACCATGATAGAATGCATCCACACGTACTTGAAGACAGCCCAAAGACAGAAATTTTTCCGTGGCCTACATTTCTGGGCCTCAATACTTCTCCTAATAGCGTCGTTGGTCGTGACAACGTTTACTGCAAACAAGGCAGGCTGGTCCTCCATCTTCTGGGTCCTTTTCGCTATTGCTGTCTCCATCTCGGGCACCATCGACGGTGCCATCTCCTTCTTGTTTGGCAGGTCTGAAATCAGAGCCCTCATCGAAGTCGAACAAGAGGTTCTGGACGCGGAGCACCACCTGCAAACTTTCTTGAGCGAGAAATGA","protein_sequence":"MYNRKDRDVHERKEDGQSEFEALNGTNAIMSDNSKAYSIKFLTFNTWGLKYVSKHRKERLRAIADKLAGHSMLTPISDELLPNGGDSNENEDYDVIALQEIWCVEDWKYLASACASKYPYQRLFHSGILTGPGLAILSKVPIESTFLYRFPINGRPSAVFRGDWYVGKSIAITVLNTGTRPIAIMNSHMHAPYAKQGDAAYLCHRSCQAWDFSRLIKLYRQAGYAVIVVGDLNSRPGSLPHKFLTQEAGLVDSWEQLHGKQDLAVIARLSPLQQLLKGCTTCDSLLNTWRAQRQPDEACRLDYALIDPDFLQTVDAGVRFTERIPHLDCSVSDHFAYSCTLNIVPQGTESRPSTSVKRAKTHDRELILQRYSNYETMIECIHTYLKTAQRQKFFRGLHFWASILLLIASLVVTTFTANKAGWSSIFWVLFAIAVSISGTIDGAISFLFGRSEIRALIEVEQEVLDAEHHLQTFLSEK"},{"created_at":"2011-05-29T03:50:00.000Z","updated_at":"2011-05-29T05:06:53.000Z","name":"Inositol-3-phosphate synthase","uniprot_id":"P11986","uniprot_name":"INO1_YEAST","enzyme":true,"transporter":false,"gene_name":"INO1","num_residues":533,"molecular_weight":"59641.60156","theoretical_pi":"5.71","general_function":"Involved in inositol-3-phosphate synthase activity","specific_function":"D-glucose 6-phosphate = 1D-myo-inositol 3- phosphate","reactions":[{"id":1750,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2840,"direction":"\u003e","locations":"Cytoplasm","altext":"D-glucose 6-phosphate = 1D-myo-inositol 3-phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1RM0","cellular_location":"Cytoplasm","genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"INO1","chromosome_location":"chromosome 10","locus":"YJL153C","synonyms":["MIP synthase","Myo-inositol-1-phosphate synthase","IPS","MI-1-P synthase"],"enzyme_classes":["5.5.1.4"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" isomerase activity"},{"category":"Function","description":" intramolecular lyase activity"},{"category":"Function","description":" inositol-3-phosphate synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Process","description":" polyol metabolic process"},{"category":"Process","description":" organophosphate metabolic process"},{"category":"Process","description":" phospholipid metabolic process"},{"category":"Process","description":" phospholipid biosynthetic process"},{"category":"Process","description":" inositol metabolic process"},{"category":"Process","description":" inositol biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" small molecule metabolic process"},{"category":"Process","description":" alcohol metabolic process"}],"pfams":[{"name":"Inos-1-P_synth","identifier":"PF01658"},{"name":"NAD_binding_5","identifier":"PF07994"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"}],"gene_sequence":"ATGACAGAAGATAATATTGCTCCAATCACCTCCGTTAAAGTAGTTACCGACAAGTGCACGTACAAGGACAACGAGCTGCTCACCAAGTACAGCTACGAAAATGCTGTAGTTACGAAGACAGCTAGTGGCCGCTTCGATGTAACGCCCACTGTTCAAGACTACGTGTTCAAACTTGACTTGAAAAAGCCGGAAAAACTAGGAATTATGCTCATTGGGTTAGGTGGCAACAATGGCTCCACTTTAGTGGCCTCGGTATTGGCGAATAAGCACAATGTGGAGTTTCAAACTAAGGAAGGCGTTAAGCAACCAAACTACTTCGGCTCCATGACTCAATGTTCTACCTTGAAACTGGGTATCGATGCGGAGGGGAATGACGTTTATGCTCCTTTTAACTCTCTGTTGCCCATGGTTAGCCCAAACGACTTTGTCGTCTCTGGTTGGGACATCAATAACGCAGATCTATACGAAGCTATGCAGAGAAGTCAAGTTCTCGAATATGATCTGCAACAACGCTTGAAGGCGAAGATGTCCTTGGTGAAGCCTCTTCCTTCCATTTACTACCCTGATTTCATTGCAGCTAATCAAGATGAGAGAGCCAATAACTGCATCAATTTGGATGAAAAAGGCAACGTAACCACGAGGGGTAAGTGGACCCATCTGCAACGCATCAGACGCGATATCCAGAATTTCAAAGAAGAAAACGCCCTTGATAAAGTAATCGTTCTTTGGACTGCAAATACTGAGAGGTACGTAGAAGTATCTCCTGGTGTTAATGACACCATGGAAAACCTCTTGCAGTCTATTAAGAATGACCATGAAGAGATTGCTCCTTCCACGATCTTTGCAGCAGCATCTATCTTGGAAGGTGTCCCCTATATTAATGGTTCACCGCAGAATACTTTTGTTCCCGGCTTGGTTCAGCTGGCTGAGCATGAGGGTACATTCATTGCGGGAGACGATCTCAAGTCGGGACAAACCAAGTTGAAGTCTGTTCTGGCCCAGTTCTTAGTGGATGCAGGTATTAAACCGGTCTCCATTGCATCCTATAACCATTTAGGCAATAATGACGGTTATAACTTATCTGCTCCAAAACAATTTAGGTCTAAGGAGATTTCCAAAAGTTCTGTCATAGATGACATCATCGCGTCTAATGATATCTTGTACAATGATAAACTGGGTAAAAAAGTTGACCACTGCATTGTCATCAAATATATGAAGCCCGTCGGGGACTCAAAAGTGGCAATGGACGAGTATTACAGTGAGTTGATGTTAGGTGGCCATAACCGGATTTCCATTCACAATGTTTGCGAAGATTCTTTACTGGCTACGCCCTTGATCATCGATCTTTTAGTCATGACTGAGTTTTGTACAAGAGTGTCCTATAAGAAGGTGGACCCAGTTAAAGAAGATGCTGGCAAATTCGAGAACTTTTATCCAGTTTTAACCTTCTTGAGTTACTGGTTAAAAGCTCCATTAACAAGACCAGGATTTCACCCGGTGAATGGCTTAAACAAGCAAAGAACCGCCTTAGAAAATTTTTTAAGATTGTTGATTGGATTGCCTTCTCAAAACGAACTAAGATTCGAAGAGAGATTGTTGTAA","protein_sequence":"MTEDNIAPITSVKVVTDKCTYKDNELLTKYSYENAVVTKTASGRFDVTPTVQDYVFKLDLKKPEKLGIMLIGLGGNNGSTLVASVLANKHNVEFQTKEGVKQPNYFGSMTQCSTLKLGIDAEGNDVYAPFNSLLPMVSPNDFVVSGWDINNADLYEAMQRSQVLEYDLQQRLKAKMSLVKPLPSIYYPDFIAANQDERANNCINLDEKGNVTTRGKWTHLQRIRRDIQNFKEENALDKVIVLWTANTERYVEVSPGVNDTMENLLQSIKNDHEEIAPSTIFAAASILEGVPYINGSPQNTFVPGLVQLAEHEGTFIAGDDLKSGQTKLKSVLAQFLVDAGIKPVSIASYNHLGNNDGYNLSAPKQFRSKEISKSSVIDDIIASNDILYNDKLGKKVDHCIVIKYMKPVGDSKVAMDEYYSELMLGGHNRISIHNVCEDSLLATPLIIDLLVMTEFCTRVSYKKVDPVKEDAGKFENFYPVLTFLSYWLKAPLTRPGFHPVNGLNKQRTALENFLRLLIGLPSQNELRFEERLL"},{"created_at":"2011-05-29T04:10:26.000Z","updated_at":"2011-05-29T05:06:53.000Z","name":"Inositol monophosphatase 1","uniprot_id":"P38710","uniprot_name":"INM1_YEAST","enzyme":true,"transporter":false,"gene_name":"INM1","num_residues":295,"molecular_weight":"32823.0","theoretical_pi":"4.92","general_function":"Involved in inositol or phosphatidylinositol phosphatase activity","specific_function":"Responsible for the provision of inositol required for synthesis of phosphatidylinositol and polyphosphoinositides","reactions":[{"id":1749,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2708,"direction":"\u003e","locations":"Cytoplasm. Nucleus;Cytoplasmic","altext":"Myo-inositol phosphate + H(2)O = myo-inositol + phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14846,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007023","source":"Smpdb"},{"id":14847,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007024","source":"Smpdb"},{"id":14848,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007027","source":"Smpdb"},{"id":14849,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007040","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"INM1","chromosome_location":"chromosome 8","locus":"YHR046C","synonyms":["IMP 1","IMPase 1","Inositol-1(or 4)-monophosphatase 1"],"enzyme_classes":["3.1.3.25"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" phosphatase activity"},{"category":"Function","description":" inositol or phosphatidylinositol phosphatase activity"},{"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":"Process","description":" Not Available"}],"pfams":[{"name":"Inositol_P","identifier":"PF00459"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"gene_sequence":"ATGACCATTGATCTAGCTTCTATCGAGAAATTCCTCTGTGAACTGGCTACTGAAAAAGTAGGACCAATCATCAAATCCAAGTCCGGCACTCAAAAGGATTATGACTTGAAGACTGGCTCCAGGAGCGTTGATATTGTAACTGCTATCGATAAACAGGTCGAAAAGTTAATTTGGGAATCGGTAAAAACCCAATATCCAACTTTCAAGTTTATTGGAGAGGAAAGTTATGTGAAAGGGGAGACCGTGATTACTGATGATCCTACCTTTATTATTGATCCAATTGATGGGACTACAAACTTTGTTCATGATTTCCCATTTAGCTGTACCTCTCTTGGGCTCACAGTAAACAAAGAGCCCGTAGTAGGCGTTATATATAATCCTCACATTAATCTTCTGGTATCCGCTTCTAAAGGAAATGGGATGAGAGTTAACAACAAGGACTATGACTATAAATCAAAATTGGAATCTATGGGTTCTCTAATACTAAATAAATCCGTAGTGGCATTACAGCCAGGTTCCGCTAGAGAGGGAAAGAATTTTCAGACAAAAATGGCCACATATGAAAAATTACTATCATGTGATTACGGTTTTGTTCATGGATTCAGAAATTTAGGATCATCTGCAATGACAATGGCATATATTGCTATGGGGTACCTTGATAGTTATTGGGATGGTGGTTGCTATTCGTGGGACGTGTGTGCTGGATGGTGTATTTTGAAAGAAGTGGGCGGTCGTGTAGTAGGTGCCAATCCAGGTGAATGGAGTATTGATGTCGACAATAGGACATATTTGGCTGTGAGGGGAACAATTAATAACGAAAGTGACGAACAAACAAAATATATCACAGACTTTTGGAACTGTGTTGATGGCCATTTGAAATATGACTGA","protein_sequence":"MTIDLASIEKFLCELATEKVGPIIKSKSGTQKDYDLKTGSRSVDIVTAIDKQVEKLIWESVKTQYPTFKFIGEESYVKGETVITDDPTFIIDPIDGTTNFVHDFPFSCTSLGLTVNKEPVVGVIYNPHINLLVSASKGNGMRVNNKDYDYKSKLESMGSLILNKSVVALQPGSAREGKNFQTKMATYEKLLSCDYGFVHGFRNLGSSAMTMAYIAMGYLDSYWDGGCYSWDVCAGWCILKEVGGRVVGANPGEWSIDVDNRTYLAVRGTINNESDEQTKYITDFWNCVDGHLKYD"}]}