{"ymdb_id":"YMDB00185","created_at":"2011-05-29T16:04:52.000Z","updated_at":"2016-09-08T18:35:09.000Z","name":"1,2-Dihydroxy-3-keto-5-methylthiopentene","cas":"746507-19-7","state":"Solid","melting_point":null,"description":"1,2-Dihydroxy-3-keto-5-methylthiopentene anion is an unstable intermediate in the methionine salvage pathway, which is found in a wide variety of organisms, including bacteria, protozoa, plants and mammals. [Biocyc PWY-4361]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm, Nucleus","synthesis_reference":null,"chebi_id":"49252","hmdb_id":"HMDB12134","kegg_id":"C15606","pubchem_id":"5462190","cs_id":"4575316","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-85","iupac":"(1Z)-1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one","traditional_iupac":"(1Z)-1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one","logp":"0.8116459593333338","pka":"11.558186339804077","alogps_solubility":"8.75e+00 g/l","alogps_logp":"0.07","alogps_logs":"-1.27","acceptor_count":"3","donor_count":"2","rotatable_bond_count":"4","polar_surface_area":"57.53","refractivity":"41.8688","polarizability":"16.294051900205332","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.967606300887529","pka_strongest_acidic":"8.30665894402364","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,2-dihydroxy-3-keto-5-methylthiopentane","1,2-dihydroxy-3-keto-5-methylthiopentene anion","1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one","1,2-dihydroxy-5-(methylthio)pent-1-en-3-one"],"pathways":[{"name":"Cysteine and methionine metabolism","kegg_map_id":"00270"},{"name":"Methionine metabolism and salvage","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."}],"proteins":[{"created_at":"2011-05-24T20:34:21.000Z","updated_at":"2011-05-29T14:01:21.000Z","name":"Enolase-phosphatase E1","uniprot_id":"P32626","uniprot_name":"ENOPH_YEAST","enzyme":true,"transporter":false,"gene_name":"UTR4","num_residues":227,"molecular_weight":"25187.19922","theoretical_pi":"5.3","general_function":"Involved in catalytic activity","specific_function":"Bifunctional enzyme that catalyzes the enolization of 2,3-diketo-5-methylthiopentyl-1-phosphate (DK-MTP-1-P) into the intermediate 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate (HK-MTPenyl-1-P), which is then dephosphorylated to form the acireductone 1,2-dihydroxy-3-keto-5-methylthiopentene (DHK-MTPene)","reactions":[{"id":2327,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"5-(methylthio)-2,3-dioxopentyl phosphate + H(2)O = 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one + phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2328,"direction":"\u003e","locations":"Cytoplasmic;Cytoplasm. Nucleus","altext":"2-Phosphoglycolate + H2O = glycolate + phosphate","export":false,"pw_reaction_id":null,"source":null},{"id":3792,"direction":null,"locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006311","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":"U18779","genbank_protein_id":"603641","gene_card_id":"UTR4","chromosome_location":"chromosome 5","locus":"YEL038W","synonyms":["2,3-diketo-5-methylthio-1-phosphopentane phosphatase","Unknown transcript 4 protein"],"enzyme_classes":["3.1.3.77","3.1.3.18"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"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":"Function","description":" phosphoglycolate phosphatase activity"},{"category":"Function","description":" acireductone synthase activity"},{"category":"Process","description":" cellular amino acid biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" amino acid salvage"},{"category":"Process","description":" L-methionine salvage from methylthioadenosine"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"}],"pfams":[{"name":"Hydrolase","identifier":"PF00702"}],"pathways":[{"name":"Cysteine and methionine metabolism","kegg_map_id":"00270"},{"name":"Methionine metabolism and salvage","kegg_map_id":null}],"gene_sequence":"ATGGTCATTGGGCAAAAGGTCCTGCTAGCTCGTATACCAAAAATGGGAGACAATTACTCGACTTACTTGCTTGATATTGAAGGGACAGTGTGCCCGATCTCGTTCGTGAAGGAGACTTTATTCCCTTATTTCACGAATAAAGTGCCGCAATTGGTTCAACAGGATACAAGGGACTCCCCGGTTTCCAACATTCTGTCGCAGTTTCACATCGACAATAAGGAGCAGTTGCAGGCGCATATTTTGGAGTTGGTGGCCAAGGATGTGAAGGATCCAATCTTGAAACAGTTGCAAGGCTACGTCTGGGCTCACGGATACGAATCTGGGCAGATTAAGGCGCCCGTTTATGCAGATGCTATTGACTTTATCAAGAGGAAGAAGCGTGTGTTTATCTACTCTAGTGGATCTGTAAAGGCACAGAAATTGCTGTTCGGGTATGTTCAGGATCCCAACGCGCCTGCGCATGATTCGTTGGATTTGAATTCTTATATAGATGGTTATTTCGACATCAACACTTCTGGAAAGAAAACCGAAACACAGTCTTACGCCAACATCTTGCGGGATATCGGTGCGAAGGCTAGCGAGGTACTGTTCTTGAGCGATAATCCATTGGAATTGGACGCAGCGGCCGGCGTTGGAATAGCTACTGGGTTAGCTTCCCGACCTGGTAATGCACCTGTCCCCGATGGGCAAAAGTACCAGGTATACAAGAATTTTGAAACTCTTTAA","protein_sequence":"MGDNYSTYLLDIEGTVCPISFVKETLFPYFTNKVPQLVQQDTRDSPVSNILSQFHIDNKEQLQAHILELVAKDVKDPILKQLQGYVWAHGYESGQIKAPVYADAIDFIKRKKRVFIYSSGSVKAQKLLFGYVQDPNAPAHDSLDLNSYIDGYFDINTSGKKTETQSYANILRDIGAKASEVLFLSDNPLELDAAAGVGIATGLASRPGNAPVPDGQKYQVYKNFETL"},{"created_at":"2011-07-22T04:56:51.000Z","updated_at":"2011-07-22T04:56:51.000Z","name":"1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase","uniprot_id":"Q03677","uniprot_name":"MTND_YEAST","enzyme":false,"transporter":false,"gene_name":"ADI1","num_residues":179,"molecular_weight":"20879.19922","theoretical_pi":"4.98","general_function":"Involved in metal ion binding","specific_function":"Catalyzes the formation of formate and 2-keto-4- methylthiobutyrate (KMTB) from 1,2-dihydroxy-3-keto-5- methylthiopentene (DHK-MTPene)","reactions":[{"id":2860,"direction":"\u003e","locations":"Cell membrane; Peripheral membrane protein; Cytoplasmic side. Nucleus","altext":"1,2-dihydroxy-5-(methylthio)pent-1-en-3-one + O(2) = 3-(methylthio)propanoate + formate + CO.","export":false,"pw_reaction_id":null,"source":null},{"id":3791,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006310","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cell membrane; Peripheral membrane protein; Cytoplasmic side. Nucleus","genbank_gene_id":"AY558584","genbank_protein_id":"45271058","gene_card_id":"ADI1","chromosome_location":null,"locus":null,"synonyms":["Acireductone dioxygenase","ARD"],"enzyme_classes":[],"go_classes":[{"category":"Function","description":"binding"},{"category":"Function","description":"ion binding"},{"category":"Function","description":"cation binding"},{"category":"Function","description":"metal ion binding"},{"category":"Function","description":"catalytic activity"},{"category":"Function","description":"oxidoreductase activity"},{"category":"Function","description":"dioxygenase activity"},{"category":"Process","description":"metabolic process"},{"category":"Process","description":"oxidation reduction"},{"category":"Process","description":"cellular metabolic process"},{"category":"Process","description":"cellular amino acid and derivative metabolic process"},{"category":"Process","description":"cellular amino acid metabolic process"},{"category":"Process","description":"cellular amino acid biosynthetic process"},{"category":"Process","description":"amino acid salvage"},{"category":"Process","description":"L-methionine salvage from methylthioadenosine"}],"pfams":[{"name":"ARD","identifier":"PF03079"}],"pathways":[{"name":"Methionine metabolism and salvage","kegg_map_id":null}],"gene_sequence":"ATGGTTAAGGTATATATTCATGACAACAAGGTTGACTCCGATTATCGCGCACCCCACAATTCTGGAACAGAACTTTCCCTGGATGAATTAGCCAAGTTAGGAGTGATTTATAAATACTGTGCAAATGAGGAAGAAGTGAATGAAATTGCTAGGCAAAGAGAATATAAAAATAGAGATGTGGTCAACATCTGCGAAGGTTCCTTCAAAAGTGAAGCAGAGTTTAATGAAAAACTAGCAACATTCTACCAAGAGCATTTACATGAAGACGAAGAAATAAGATACTGTCTCGAGGGTGCTGGATACTTTGACGTCAGGGATGCTTCCACACCAGAGAACTGGATTAGGTGTTTGGTAGAGTCAGGTGATTTACTGATTCTTCCACCAGGCATCTATCATCGTTTCACCTTGACAACTAGCAACCACATCAAGGCCTTGAGACTGTTTAAGGACGAGCCCAAATGGCAAGCTATCAACAGGTCAAATCAGGCTGATTCATTGCCTGTACGCAAGGACTACATTGCCCTGATCAATCAGTACTAA","protein_sequence":"MVKVYIHDNKVDSDYRAPHNSGTELSLDELAKLGVIYKYCANEEEVNEIARQREYKNRDVVNICEGSFKSEAEFNEKLATFYQEHLHEDEEIRYCLEGAGYFDVRDASTPENWIRCLVESGDLLILPPGIYHRFTLTTSNHIKALRLFKDEPKWQAINRSNQADSLPVRKDYIALINQY"}]}