{"ymdb_id":"YMDB00578","created_at":"2011-05-29T18:32:40.000Z","updated_at":"2016-09-08T18:35:38.000Z","name":"7,8-dihydroneopterin 3'-triphosphate","cas":"20574-65-6","state":"Solid","melting_point":null,"description":"7,8-Dihydroneopterin 3'-triphosphate is the precursor to 7,8-dihydroneopterin 3'-phosphate in the 6-hydroxymethyl-dihydropterin diphosphate biosynthesis pathway. 6-Hydroxymethyl-dihydropterin diphosphate is the pterin precursor for the biosynthesis of several important cofactors, including tetrahydrofolate, methanopterin and sarcinapterin. [Biocyc PWY-6147]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":"Ferre, Juan; Naylor, Edwin W.; Jacobson, K. Bruce.  Repetitive recycling of guanosine triphosphate cyclohydrolase I for synthesis of dihydroneopterin triphosphate.    Analytical Biochemistry  (1989),  176(1),  15-18. ","chebi_id":"18372","hmdb_id":"HMDB00980","kegg_id":"C04895","pubchem_id":"121885","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":"6-1S2R-12-DIHYDROXY-3-TRIPHOSPHOOXY","iupac":"{[({[(2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid","traditional_iupac":"{[(2R,3S)-3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxyphosphonic acid","logp":"-4.302576778","pka":"2.531508536367726","alogps_solubility":"6.43e+00 g/l","alogps_logp":"-0.71","alogps_logs":"-1.89","acceptor_count":"15","donor_count":"9","rotatable_bond_count":"9","polar_surface_area":"292.15","refractivity":"102.27569999999999","polarizability":"37.73559823858228","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"-1.470792421546086","pka_strongest_acidic":"0.897108707859545","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate","6-(L-erythro-1,2-dihydroxy-3-triphosphooxypropyl)-7,8-dihydropterin","6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin","6-[(1S,2R)-1,2-Dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin","7,8-dihydroneopterin 3'-triphosphate","7,8-dihydroneopterin triphosphate","dihydroneopterin triphosphate","h2-neopterin triphosphate"],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","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":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."}],"proteins":[{"created_at":"2011-05-26T23:22:21.000Z","updated_at":"2011-07-22T17:54:09.000Z","name":"Repressible alkaline phosphatase","uniprot_id":"P11491","uniprot_name":"PPB_YEAST","enzyme":true,"transporter":false,"gene_name":"PHO8","num_residues":566,"molecular_weight":"63003.60156","theoretical_pi":"5.33","general_function":"Involved in catalytic activity","specific_function":"A phosphate monoester + H(2)O = an alcohol + phosphate","reactions":[{"id":1309,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2499,"direction":"\u003e","locations":"Cytoplasmic;Cytoplasm; Single-pass membrane protein (Potential).;Secreted;Vacuole membrane","altext":"A phosphate monoester + H(2)O = an alcohol + phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2613,"direction":"\u003e","locations":"Vacuole membrane; Single-pass membrane protein (Potential).","altext":"(2E,6E)-farnesyl diphosphate + H(2)O = (2E,6E)-farnesol + diphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2614,"direction":"\u003e","locations":"Vacuole membrane; Single-pass membrane protein (Potential).","altext":"beta-D-fructose 2,6-bisphosphate + H2O = beta-D-fructofuranose 2-phosphate + phosphate","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"34-59","pdb_id":null,"cellular_location":"Vacuole membrane; Single-pass membrane protein (Potential).","genbank_gene_id":"M21134","genbank_protein_id":"172164","gene_card_id":"PHO8","chromosome_location":"chromosome 4","locus":"YDR481C","synonyms":[],"enzyme_classes":["3.1.3.1","3.1.7.6","3.1.3.54"],"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":"Process","description":" metabolic process"}],"pfams":[{"name":"Alk_phosphatase","identifier":"PF00245"}],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"}],"gene_sequence":"ATGATGACTCACAGATTACCAAGCGAACAGACACGTCTTGTTCCTGGATCTGACTCGAGCTCTCGTCCTAAAAAGAGACGGATCTCGAAGAGATCGAAGATAATAGTATCCACTGTGGTCTGTATTGGTTTGTTGCTGGTTTTAGTGCAACTGGCATTTCCAACCAGTTTTGCTATACGTTCTGCATCACACAAGAAGAAGAATGTCATATTCTTCGTGACGGATGGAATGGGACCTGCGTCTTTGTCCATGGCAAGATCATTCAACCAGCACGTTAATGATCTACCTATAGACGACATCCTGACACTTGACGAGCATTTTATCGGGTCTTCGAGAACAAGGTCCTCGGACTCACTAGTCACTGACTCAGCTGCGGGCGCCACCGCATTTGCATCTGCATTAAAGAGCTATAATGGGGCCATCGGCGTTGATCCGCATCACAGACCTTGTGGTACAGTGCTCGAGGCGGCTAAGTTAGCAGGTTATCTCACTGGGCTTGTTGTTACGACAAGAATCACAGATGCCACTCCGGCTTCATTCAGTTCACATGTTGATTACAGATGGCAGGAAGATCTTATTGCTACGCACCAGTTAGGCGAATATCCTCTGGGGAGAGTAGTAGACTTACTCATGGGTGGCGGCAGGAGCCATTTCTACCCTCAAGGCGAAAAGGCTTCTCCATATGGTCACCACGGTGCTAGAAAAGATGGAAGAGATTTAATCGATGAGGCTCAATCTAATGGCTGGCAGTACGTGGGTGACCGTAAAAATTTTGATTCTTTGTTGAAAAGCCACGGTGAAAACGTTACTTTTCCTTTCTTGGGTCTCTTTGCAGATAACGACATTCCTTTTGAAATTGACAGAGATGAAAAGGAGTATCCTTCTCTTAAGGAACAAGTCAAGGTGGCTTTGGGTGCCTTGGAAAAAGCTTCCAATGAGGACAAAGATTCTAATGGGTTTTTCTTAATGGTGGAAGGCTCCAGAATTGACCACGCTGGTCACCAAAACGATCCAGCTTCACAGGTAAGGGAGGTGTTGGCTTTCGATGAAGCATTCCAATACGTTTTGGAGTTTGCTGAAAATTCCGATACGGAGACTGTTTTGGTCTCTACGTCGGATCATGAAACGGGTGGTTTAGTCACTTCAAGACAAGTCACTGCTAGCTATCCTCAGTATGTCTGGTATCCACAGGTGCTTGCCAACGCCACCCATTCAGGTGAGTTTTTGAAAAGAAAACTAGTAGATTTTGTTCATGAACATAAGGGCGCAAGCAGCAAAATAGAAAATTTCATCAAACATGAGATCCTGGAAAAGGATTTGGGCATTTACGATTACACGGAAAGTGATTTAGAAACATTAATTCATTTGGATGACAACGCAAATGCTATCCAAGACAAACTGAATGACATGGTATCATTTAGGGCCCAAATTGGCTGGACCACGCATGGTCACAGCGCAGTCGACGTCAACATATATGCATACGCCAATAAGAAAGCTACATGGTCATATGTCTTGAACAATTTACAAGGCAATCACGAAAATACGGAAGTTGGCCAGTTCTTAGAAAACTTTTTAGAATTGAACCTGAACGAAGTCACTGATTTGATTAGGGACACCAAACACACATCAGATTTTGATGCTACAGAAATAGCTAGTGAAGTACAACATTATGACGAATACTACCATGAGTTGACCAACTGA","protein_sequence":"MMTHTLPSEQTRLVPGSDSSSRPKKRRISKRSKIIVSTVVCIGLLLVLVQLAFPSSFALRSASHKKKNVIFFVTDGMGPASLSMARSFNQHVNDLPIDDILTLDEHFIGSSRTRSSDSLVTDSAAGATAFACALKSYNGAIGVDPHHRPCGTVLEAAKLAGYLTGLVVTTRITDATPASFSSHVDYRWQEDLIATHQLGEYPLGRVVDLLMGGGRSHFYPQGEKASPYGHHGARKDGRDLIDEAQSNGWQYVGDRKNFDSLLKSHGENVTLPFLGLFADNDIPFEIDRDEKEYPSLKEQVKVALGALEKASNEDKDSNGFFLMVEGSRIDHAGHQNDPASQVREVLAFDEAFQYVLEFAENSDTETVLVSTSDHETGGLVTSRQVTASYPQYVWYPQVLANATHSGEFLKRKLVDFVHEHKGASSKIENFIKHEILEKDLGIYDYTDSDLETLIHLDDNANAIQDKLNDMVSFRAQIGWTTHGHSAVDVNIYAYANKKATWSYVLNNLQGNHENTEVGQFLENFLELNLNEVTDLIRDTKHTSDFDATEIASEVQHYDEYYHELTN"},{"created_at":"2011-05-27T07:12:32.000Z","updated_at":"2011-05-27T15:01:27.000Z","name":"GTP cyclohydrolase 1","uniprot_id":"P51601","uniprot_name":"GCH1_YEAST","enzyme":true,"transporter":false,"gene_name":"FOL2","num_residues":243,"molecular_weight":"27768.80078","theoretical_pi":"7.25","general_function":"Involved in GTP cyclohydrolase I activity","specific_function":"GTP + H(2)O = formate + 2-amino-4-hydroxy-6- (erythro-1,2,3-trihydroxypropyl)-dihydropteridine triphosphate","reactions":[{"id":1616,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2802,"direction":"\u003e","locations":"Cytoplasmic","altext":"GTP + H(2)O = formate + 2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-dihydropteridine triphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":4140,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006439","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"AY692993","genbank_protein_id":"51013437","gene_card_id":"FOL2","chromosome_location":"chromosome 7","locus":"YGR267C","synonyms":["GTP cyclohydrolase I","GTP-CH-I"],"enzyme_classes":["3.5.4.16"],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines"},{"category":"Function","description":" cyclohydrolase activity"},{"category":"Function","description":" GTP cyclohydrolase activity"},{"category":"Function","description":" GTP cyclohydrolase I activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Process","description":" folic acid and derivative metabolic process"},{"category":"Process","description":" folic acid and derivative biosynthetic process"},{"category":"Process","description":" tetrahydrofolate biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"}],"pfams":[{"name":"GTP_cyclohydroI","identifier":"PF01227"}],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGCATAACATCCAATTAGTGCAAGAGATAGAAAGACATGAAACCCCGTTAAACATTAGACCTACCTCTCCATACACTTTAAACCCTCCTGTCGAGAGAGATGGGTTTTCTTGGCCAAGTGTGGGTACAAGACAACGTGCAGAGGAAACTGAAGAGGAGGAAAAGGAACGAATTCAACGCATTTCAGGCGCTATCAAGACAATTTTGACCGAACTGGGTGAAGATGTCAACAGAGAAGGTCTACTAGATACTCCACAAAGATACGCTAAAGCCATGCTTTATTTCACTAAAGGTTACCAAACGAACATTATGGACGATGTCATTAAGAATGCTGTCTTTGAAGAAGATCATGATGAAATGGTTATTGTTCGTGATATTGAAATTTACTCGTTATGTGAACATCATTTGGTGCCATTTTTCGGCAAGGTTCATATCGGGTATATACCAAATAAAAAAGTCATCGGGTTAAGTAAGTTGGCCAGATTGGCAGAAATGTATGCGAGAAGGCTCCAAGTTCAAGAAAGACTTACAAAGCAAATTGCAATGGCCCTAAGTGATATTCTAAAACCATTAGGTGTAGCCGTTGTTATGGAAGCTTCTCATATGTGCATGGTTTCAAGAGGCATTCAAAAAACGGGATCTTCTACGGTAACTTCTTGTATGCTTGGAGGGTTTAGGGCTCATAAAACAAGAGAAGAGTTTTTAACTCTTTTAGGAAGAAGAAGTATTTGA","protein_sequence":"MHNIQLVQEIERHETPLNIRPTSPYTLNPPVERDGFSWPSVGTRQRAEETEEEEKERIQRISGAIKTILTELGEDVNREGLLDTPQRYAKAMLYFTKGYQTNIMDDVIKNAVFEEDHDEMVIVRDIEIYSLCEHHLVPFFGKVHIGYIPNKKVIGLSKLARLAEMYARRLQVQERLTKQIAMALSDILKPLGVAVVMEASHMCMVSRGIQKTGSSTVTSCMLGGFRAHKTREEFLTLLGRRSI"}]}