{"ymdb_id":"YMDB00208","created_at":"2011-05-29T16:07:01.000Z","updated_at":"2016-09-08T18:35:11.000Z","name":"(2S)-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":"50608","hmdb_id":null,"kegg_id":null,"pubchem_id":"45480552","cs_id":"19981001","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"[(2S)-2-hydroxy-3-oxobutoxy]phosphonic acid","traditional_iupac":"(2S)-2-hydroxy-3-oxobutoxyphosphonic acid","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":"14.379791410155622","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":["(3S)-3-hydroxy-4-(phosphonooxy)butan-2-one","(S)-3-hydroxy-4-(phosphonooxy)-2-butanone","1-deoxy-L-glycero-tetrulose 4-phosphate","3,4-Dhbp","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":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."}],"proteins":[{"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":" 3,4-dihydroxy-2-butanone-4-phosphate synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Process","description":" riboflavin metabolic process"},{"category":"Process","description":" riboflavin biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"}],"pfams":[{"name":"DHBP_synthase","identifier":"PF00926"}],"pathways":[{"name":"Riboflavin metabolism","kegg_map_id":"00740"}],"gene_sequence":"ATGTTTACACCAATTGATCAAGCTATAGAACACTTCAAGCAGAATAAGTTTGTAATTGTTATGGACGATGCCGGTCGTGAAAATGAAGGTGATCTTATTTGCGCTGCTGAAAATGTCAGCACTGAACAAATGGCCTTTCTTGTACGCCATTCCTCAGGCTACGTCTGTGCACCTATGACGAATGCCATTGCTGATAAGTTGGACCTTCCACTACTGAGAACAGGCATGAAGTTTGAATCCAATGATGACGACAGGCATGGAACTGCATACACAATAACTGTAGATGTAGCCCAAGGCACTACCACAGGTATTTCTGCTCACGACAGGTCGATGACTTGTAGGGCTCTTGCAGACTCTTCCTCTACGCCAAAATCATTTTTAAAACCAGGGCACATCTGTCCCTTGAGAGCCGCTGATGGCGGTGTTTTGCAGAGAAGAGGCCACACTGAGGCCGGTGTCGATTTGTGTAAACTAAGTGGACTAAGTCCCGTCGCTGTTATTGGCGAATTGGTTAACGATGACGAACAAGGAACTATGATGAGATTAAATGACTGCCAAGCGTTTGGTAAGAAACATGGCATTCCTTTGATCTCCATCGAAGAATTGGCCCAATATTTGAAGAAATAA","protein_sequence":"MFTPIDQAIEHFKQNKFVIVMDDAGRENEGDLICAAENVSTEQMAFLVRHSSGYVCAPMTNAIADKLDLPLLRTGMKFESNDDDRHGTAYTITVDVAQGTTTGISAHDRSMTCRALADSSSTPKSFLKPGHICPLRAADGGVLQRRGHTEAGVDLCKLSGLSPVAVIGELVNDDEQGTMMRLNDCQAFGKKHGIPLISIEELAQYLKK"}]}