{"ymdb_id":"YMDB00775","created_at":"2011-05-29T18:52:04.000Z","updated_at":"2016-09-12T20:54:20.000Z","name":"Thiamine triphosphate","cas":null,"state":"Solid","melting_point":null,"description":"Thiamine triphosphate (ThTP) is one of the five known natural thiamine phosphate derivatives. Thiamine (vitamin B1) is the transport form of the vitamin, while the phosphorylated derivatives are the active forms. ThTP is found in most organisms, bacteria, fungi, plants and animals.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"9534","hmdb_id":null,"kegg_id":"C03028","pubchem_id":"15938964","cs_id":"73580","foodb_id":null,"wikipedia_link":"Thiamine_triphosphate","biocyc_id":"CPD-611","iupac":"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium","traditional_iupac":"thiamin triphosphate","logp":"-6.807120897774407","pka":"2.518830274477954","alogps_solubility":"3.73e-01 g/l","alogps_logp":"-0.49","alogps_logs":"-3.16","acceptor_count":"10","donor_count":"5","rotatable_bond_count":"10","polar_surface_area":"215.49999999999997","refractivity":"106.01839999999997","polarizability":"41.5225999109141","formal_charge":"1","physiological_charge":"-2","pka_strongest_basic":"5.53443367019579","pka_strongest_acidic":"0.8970077952146629","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["Thiamin triphosphate","thiamine triphosphate"],"pathways":[{"name":"Thiamine metabolism","kegg_map_id":"00730"}],"growth_conditions":[],"references":[{"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":"2011-05-26T18:41:58.000Z","updated_at":"2011-05-27T15:01:05.000Z","name":"Thiamine pyrophosphokinase","uniprot_id":"P35202","uniprot_name":"THI80_YEAST","enzyme":true,"transporter":false,"gene_name":"THI80","num_residues":319,"molecular_weight":"36615.69922","theoretical_pi":"6.26","general_function":"Involved in thiamine diphosphokinase activity","specific_function":"Essential protein, it is the only enzyme in yeast capable of synthesizing thiamine pyrophosphate (TPP)","reactions":[{"id":2001,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2002,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2546,"direction":"\u003e","locations":null,"altext":"ATP + thiamine = AMP + thiamine diphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14443,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006957","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1IG0","cellular_location":null,"genbank_gene_id":"D14417","genbank_protein_id":"416427","gene_card_id":"THI80","chromosome_location":"chromosome 15","locus":"YOR143C","synonyms":["TPK","Thiamine kinase"],"enzyme_classes":["2.7.6.2"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" diphosphotransferase activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" thiamin diphosphokinase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" thiamin diphosphate biosynthetic process"},{"category":"Process","description":" thiamin and derivative metabolic process"},{"category":"Process","description":" thiamin metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"},{"category":"Process","description":" cofactor metabolic process"}],"pfams":[{"name":"TPK_catalytic","identifier":"PF04263"}],"pathways":[{"name":"Thiamine metabolism","kegg_map_id":"00730"},{"name":"Vitamin B1/Thiamine metabolism","kegg_map_id":null}],"gene_sequence":"ATGAGCGAGGAGTGTATTGAAAATCCTGAACGTATTAAAATTGGTACTGATTTAATCAACATCCGAAATAAAATGAACTTAAAAGAACTAATCCATCCAAACGAGGATGAAAACTCTACCCTACTCATACTTAATCAAAAAATTGACATTCCTAGACCGTTGTTTTACAAAATTTGGAAGCTGCATGACTTGAAGGTCTGTGCAGATGGTGCAGCCAATAGATTATATGACTACCTAGATGATGACGAAACCCTAAGGATAAAATATCTTCCCAATTATATTATTGGCGATCTGGATTCACTATCAGAAAAGGTTTACAAGTATTATAGGAAAAACAAAGTAACTATAATAAAACAAACTACACAATATTCGACTGATTTCACGAAGTGCGTTAATTTGATCTCTCTACACTTCAATTCACCAGAATTTCGTTCTTTAATATCGAATAAAGACAATCTTCAGTCAAATCATGGAATTGAACTGGAAAAGGGTATTCACACATTATACAATACTATGACCGAGTCCTTGGTTTTCTCGAAAGTGACTCCAATTAGTCTATTAGCACTAGGAGGAATTGGTGGTAGATTTGATCAGACGGTTCACTCAATAACGCAATTGTATACCTTATCCGAGAATGCAAGCTATTTCAAGCTTTGTTACATGACTCCAACAGACTTAATATTCTTAATCAAAAAAAATGGAACTTTGATTGAGTATGATCCCCAATTTAGGAACACTTGTATAGGAAATTGTGGGTTGTTGCCTATTGGAGAGGCTACTTTGGTTAAGGAAACCCGTGGTTTAAAGTGGGATGTTAAAAACTGGCCAACTAGCGTGGTCACCGGAAGAGTCAGCAGTAGTAACAGATTTGTTGGGGATAATTGTTGTTTCATTGATACCAAAGATGACATCATTTTGAATGTAGAAATATTCGTTGATAAATTAATAGATTTTTTGTAA","protein_sequence":"MSEECIENPERIKIGTDLINIRNKMNLKELIHPNEDENSTLLILNQKIDIPRPLFYKIWKLHDLKVCADGAANRLYDYLDDDETLRIKYLPNYIIGDLDSLSEKVYKYYRKNKVTIIKQTTQYSTDFTKCVNLISLHFNSPEFRSLISNKDNLQSNHGIELEKGIHTLYNTMTESLVFSKVTPISLLALGGIGGRFDQTVHSITQLYTLSENASYFKLCYMTPTDLIFLIKKNGTLIEYDPQFRNTCIGNCGLLPIGEATLVKETRGLKWDVKNWPTSVVTGRVSSSNRFVGDNCCFIDTKDDIILNVEIFVDKLIDFL"}]}