{"ymdb_id":"YMDB00456","created_at":"2011-05-29T18:18:51.000Z","updated_at":"2016-09-08T18:35:29.000Z","name":"2-Hydroxy-3-oxobutyl phosphate","cas":null,"state":null,"melting_point":null,"description":"2-Hydroxy-3-oxobutyl phosphate is obtained from D-ribulose-5-phosphate in flavin biosynthesis pathway. Riboflavin (vitamin B2) is the precursor for the essential flavin cofactors FMN and FAD, which are used in a wide variety of redox reactions. [Biocyc PWY-6168]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"50606","hmdb_id":null,"kegg_id":"C15556","pubchem_id":"669","cs_id":"649","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2-hydroxy-3-oxobutoxy)phosphonic acid","traditional_iupac":"2-hydroxy-3-oxobutyl phosphate","logp":"-1.3126799933333335","pka":"6.415057530560526","alogps_solubility":"2.49e+01 g/l","alogps_logp":"-1.62","alogps_logs":"-0.87","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"4","polar_surface_area":"104.06","refractivity":"34.8075","polarizability":"14.380678488641951","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-3.847198471680728","pka_strongest_acidic":"1.388886854275381","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-Deoxy-L-glycero-tetrulose 4-phosphate","3,4-Dihydroxy-2-butanone 4-phosphate","L-3,4-Dihydroxybutan-2-one 4-phosphate"],"pathways":[{"name":"Riboflavin metabolism","kegg_map_id":"00740"}],"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."},{"pubmed_id":12595523,"citation":"Jin, C., Barrientos, A., Tzagoloff, A. (2003). \"Yeast dihydroxybutanone phosphate synthase, an enzyme of the riboflavin biosynthetic pathway, has a second unrelated function in expression of mitochondrial respiration.\" J Biol Chem 278:14698-14703."}],"proteins":[{"created_at":"2011-05-27T03:06:29.000Z","updated_at":"2011-05-27T15:01:19.000Z","name":"6,7-dimethyl-8-ribityllumazine synthase","uniprot_id":"P50861","uniprot_name":"RIB4_YEAST","enzyme":true,"transporter":false,"gene_name":"RIB4","num_residues":169,"molecular_weight":"18555.40039","theoretical_pi":"6.51","general_function":"Involved in riboflavin biosynthetic process","specific_function":"Condensation of 5-amino-6-(1'-D)-ribityl-amino- 2,4(1H,3H)-pyrimidinedione with L-3,4-dihydroxy-2-butanone 4- phosphate to produce 6,7-dimethyl-8-(1-D-ribityl)lumazine","reactions":[{"id":1942,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2705,"direction":"\u003e","locations":"","altext":"2 6,7-dimethyl-8-(1-D-ribityl)lumazine = riboflavin + 4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine.","export":false,"pw_reaction_id":null,"source":null},{"id":14112,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006543","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1EJB","cellular_location":null,"genbank_gene_id":"AY558430","genbank_protein_id":"45270750","gene_card_id":"RIB4","chromosome_location":"chromosome 15","locus":"YOL143C","synonyms":["DMRL synthase","Lumazine synthase","Riboflavin synthase beta chain"],"enzyme_classes":["2.5.1.9"],"go_classes":[{"category":"Component","description":" macromolecular complex"},{"category":"Component","description":" protein complex"},{"category":"Component","description":" riboflavin synthase complex"},{"category":"Function","description":" Not Available"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" riboflavin metabolic process"},{"category":"Process","description":" riboflavin biosynthetic process"}],"pfams":[{"name":"DMRL_synthase","identifier":"PF00885"}],"pathways":[{"name":"Riboflavin metabolism","kegg_map_id":"00740"}],"gene_sequence":"ATGGCAGTTAAAGGATTAGGCAAACCAGATCAAGTTTATGACGGTTCCAAAATCAGGGTCGGTATCATTCATGCCCGTTGGAACCGTGTCATTATTGACGCTCTTGTGAAAGGTGCTATTGAAAGAATGGCTTCCCTTGGTGTCGAGGAAAATAACATAATAATTGAAACTGTTCCTGGATCCTATGAATTACCTTGGGGGACAAAAAGGTTTGTTGACAGACAAGCGAAGTTGGGAAAGCCGCTAGATGTTGTAATTCCTATTGGTGTACTTATCAAAGGTAGTACAATGCACTTTGAATACATTTCAGATTCCACCACTCACGCATTGATGAACTTACAAGAAAAAGTCGACATGCCCGTCATTTTTGGCCTCTTAACTTGCATGACTGAAGAACAAGCCCTGGCCAGAGCTGGCATCGATGAAGCGCACTCCATGCACAACCATGGTGAAGATTGGGGTGCTGCAGCAGTGGAAATGGCTGTTAAGTTCGGTAAAAATGCTTTTTGA","protein_sequence":"MAVKGLGKPDQVYDGSKIRVGIIHARWNRVIIDALVKGAIERMASLGVEENNIIIETVPGSYELPWGTKRFVDRQAKLGKPLDVVIPIGVLIKGSTMHFEYISDSTTHALMNLQEKVDMPVIFGLLTCMTEEQALARAGIDEAHSMHNHGEDWGAAAVEMAVKFGKNAF"},{"created_at":"2011-05-27T03:56:56.000Z","updated_at":"2011-07-22T17:53:44.000Z","name":"3,4-dihydroxy-2-butanone 4-phosphate synthase","uniprot_id":"Q99258","uniprot_name":"RIB3_YEAST","enzyme":true,"transporter":false,"gene_name":"RIB3","num_residues":208,"molecular_weight":"22567.40039","theoretical_pi":"5.57","general_function":"Involved in 3,4-dihydroxy-2-butanone-4-phosphate synthase activity","specific_function":"Catalyzes the conversion of D-ribulose 5-phosphate to formate and 3,4-dihydroxy-2-butanone 4-phosphate","reactions":[{"id":1160,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2749,"direction":"\u003e","locations":null,"altext":"D-ribulose 5-phosphate = formate + L-3,4-dihydroxybutan-2-one 4-phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14111,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006542","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY557810","genbank_protein_id":"45269511","gene_card_id":"RIB3","chromosome_location":"chromosome 4","locus":"YDR487C","synonyms":["DHBP synthase"],"enzyme_classes":["4.1.99.12"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" 3,4-dihydroxy-2-butanone-4-phosphate synthase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" riboflavin metabolic process"},{"category":"Process","description":" riboflavin biosynthetic process"}],"pfams":[{"name":"DHBP_synthase","identifier":"PF00926"}],"pathways":[{"name":"Riboflavin metabolism","kegg_map_id":"00740"}],"gene_sequence":"ATGTTTACACCAATTGATCAAGCTATAGAACACTTCAAGCAGAATAAGTTTGTAATTGTTATGGACGATGCCGGTCGTGAAAATGAAGGTGATCTTATTTGCGCTGCTGAAAATGTCAGCACTGAACAAATGGCCTTTCTTGTACGCCATTCCTCAGGCTACGTCTGTGCACCTATGACGAATGCCATTGCTGATAAGTTGGACCTTCCACTACTGAGAACAGGCATGAAGTTTGAATCCAATGATGACGACAGGCATGGAACTGCATACACAATAACTGTAGATGTAGCCCAAGGCACTACCACAGGTATTTCTGCTCACGACAGGTCGATGACTTGTAGGGCTCTTGCAGACTCTTCCTCTACGCCAAAATCATTTTTAAAACCAGGGCACATCTGTCCCTTGAGAGCCGCTGATGGCGGTGTTTTGCAGAGAAGAGGCCACACTGAGGCCGGTGTCGATTTGTGTAAACTAAGTGGACTAAGTCCCGTCGCTGTTATTGGCGAATTGGTTAACGATGACGAACAAGGAACTATGATGAGATTAAATGACTGCCAAGCGTTTGGTAAGAAACATGGCATTCCTTTGATCTCCATCGAAGAATTGGCCCAATATTTGAAGAAATAA","protein_sequence":"MFTPIDQAIEHFKQNKFVIVMDDAGRENEGDLICAAENVSTEQMAFLVRHSSGYVCAPMTNAIADKLDLPLLRTGMKFESNDDDRHGTAYTITVDVAQGTTTGISAHDRSMTCRALADSSSTPKSFLKPGHICPLRAADGGVLQRRGHTEAGVDLCKLSGLSPVAVIGELVNDDEQGTMMRLNDCQAFGKKHGIPLISIEELAQYLKK"}]}