{"ymdb_id":"YMDB00062","created_at":"2011-05-29T15:53:04.000Z","updated_at":"2016-09-08T18:34:58.000Z","name":"Methanethiol","cas":"74-93-1","state":"Gas","melting_point":"-123 oC","description":"Methanethiol (methyl mercaptan) is a volatile compound naturally found in certain foods, such as some nuts and cheese. It is responsible for rotten cabbage-like aromas in spoiled wines.","experimental_water_solubility":"15.4 mg/mL at 25 oC [HINE,J \u0026 MOOKERJEE,PK (1975)]","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"16007","hmdb_id":"HMDB03227","kegg_id":"C00409","pubchem_id":"878","cs_id":"855","foodb_id":null,"wikipedia_link":"Methanethiol","biocyc_id":"METHANETHIOL","iupac":"methanethiol","traditional_iupac":"methanethiol","logp":"0.8365702916666667","pka":null,"alogps_solubility":"2.00e+01 g/l","alogps_logp":"0.73","alogps_logs":"-0.38","acceptor_count":"0","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"0.0","refractivity":"14.2407","polarizability":"5.334205728542365","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":"10.3368127837657","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["CH3SH","Mercaptan methylique","Mercaptomethane","Methanethiol","Methanethiole","Methanthiol","Methvtiolo","Methyl mercaptan","Methyl sulfhydrate","Methyl thioalcohol","Methylmercaptaan","Metilmercaptano","Thiomethane","Thiomethanol"],"pathways":[{"name":"Cysteine and methionine metabolism","kegg_map_id":"00270"}],"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."},{"pubmed_id":15042590,"citation":"Mulet, J. M., Alemany, B., Ros, R., Calvete, J. J., Serrano, R. (2004). \"Expression of a plant serine O-acetyltransferase in Saccharomyces cerevisiae confers osmotic tolerance and creates an alternative pathway for cysteine biosynthesis.\" Yeast 21:303-312."}],"proteins":[{"created_at":"2011-05-26T16:30:36.000Z","updated_at":"2011-05-27T15:01:00.000Z","name":"Protein MET17","uniprot_id":"P06106","uniprot_name":"MET17_YEAST","enzyme":true,"transporter":false,"gene_name":"MET17","num_residues":444,"molecular_weight":"48671.39844","theoretical_pi":"6.41","general_function":"Involved in pyridoxal phosphate binding","specific_function":"Transforms O-acetylhomoserine into homocysteine and O- acetylserine into cysteine","reactions":[{"id":1797,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1798,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2422,"direction":"\u003e","locations":"Cytoplasm","altext":"O-acetyl-L-homoserine + methanethiol = L-methionine + acetate.","export":false,"pw_reaction_id":null,"source":null},{"id":2420,"direction":"\u003e","locations":"Cytoplasm","altext":"O(3)-acetyl-L-serine + H(2)S = L-cysteine + acetate.","export":false,"pw_reaction_id":null,"source":null},{"id":3775,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006297","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"AY723848","genbank_protein_id":"51830472","gene_card_id":"MET17","chromosome_location":"chromosome 12","locus":"YLR303W","synonyms":["O-acetylhomoserine sulfhydrylase","OAH sulfhydrylase","Homocysteine synthase","O-acetylserine sulfhydrylase","OAS sulfhydrylase"],"enzyme_classes":["2.5.1.49","2.5.1.47"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" transferase activity, transferring alkyl or aryl (other than methyl) groups"},{"category":"Process","description":" metabolic process"},{"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":"Cys_Met_Meta_PP","identifier":"PF01053"}],"pathways":[{"name":"Cysteine and methionine metabolism","kegg_map_id":"00270"},{"name":"Cysteine Metabolism","kegg_map_id":null},{"name":"Sulfur metabolism","kegg_map_id":"00920"}],"gene_sequence":"ATGCCATCTCATTTCGATACTGTTCAACTACACGCCGGCCAAGAGAACCCTGGTGACAATGCTCACAGATCCAGAGCTGTACCAATTTACGCCACCACTTCTTATGTTTTCGAAAACTCTAAGCATGGTTCGCAATTGTTTGGTCTAGAAGTTCCAGGTTACGTCTATTCCCGTTTCCAAAACCCAACCAGTAATGTTTTGGAAGAAAGAATTGCTGCTTTAGAAGGTGGTGCTGCTGCTTTGGCTGTTTCCTCCGGTCAAGCCGCTCAAACCCTTGCCATCCAAGGTTTGGCACACACTGGTGACAACATCGTTTCCACTTCTTACTTATACGGTGGTACTTATAACCAGTTCAAAATCTCGTTCAAAAGATTTGGTATCGAGGCTAGATTTGTTGAAGGTGACAATCCAGAAGAATTCGAAAAGGTCTTTGATGAAAGAACCAAGGCTGTTTATTTGGAAACCATTGGTAATCCAAAGTACAATGTTCCGGATTTTGAAAAAATTGTTGCAATTGCTCACAAACACGGTATTCCAGTTGTCGTTGACAACACATTTGGTGCCGGTGGTTACTTCTGTCAGCCAATTAAATACGGTGCTGATATTGTAACACATTCTGCTACCAAATGGATTGGTGGTCATGGTACTACTATCGGTGGTATTATTGTTGACTCTGGTAAGTTCCCATGGAAGGACTACCCAGAAAAGTTCCCTCAATTCTCTCAACCTGCCGAAGGATATCACGGTACTATCTACAATGAAGCCTACGGTAACTTGGCATACATCGTTCATGTTAGAACTGAACTATTAAGAGATTTGGGTCCATTGATGAACCCATTTGCCTCTTTCTTGCTACTACAAGGTGTTGAAACATTATCTTTGAGAGCTGAAAGACACGGTGAAAATGCATTGAAGTTAGCCAAATGGTTAGAACAATCCCCATACGTATCTTGGGTTTCATACCCTGGTTTAGCATCTCATTCTCATCATGAAAATGCTAAGAAGTATCTATCTAACGGTTTCGGTGGTGTCTTATCTTTCGGTGTAAAAGACTTACCAAATGCCGACAAGGAAACTGACCCATTCAAACTTTCTGGTGCTCAAGTTGTTGACAATTTAAAGCTTGCCTCTAACTTGGCCAATGTTGGTGATGCCAAGACCTTAGTCATTGCTCCATACTTCACTACCCACAAACAATTAAATGACAAAGAAAAGTTGGCATCTGGTGTTACCAAGGACTTAATTCGTGTCTCTGTTGGTATCGAATTTATTGATGACATTATTGCAGACTTCCAGCAATCTTTTGAAACGGTTTTCGCTGGCCAAAAACCATGA","protein_sequence":"MPSHFDTVQLHAGQENPGDNAHRSRAVPIYATTSYVFENSKHGSQLFGLEVPGYVYSRFQNPTSNVLEERIAALEGGAAALAVSSGQAAQTLAIQGLAHTGDNIVSTSYLYGGTYNQFKISFKRFGIEARFVEGDNPEEFEKVFDERTKAVYLETIGNPKYNVPDFEKIVAIAHKHGIPVVVDNTFGAGGYFCQPIKYGADIVTHSATKWIGGHGTTIGGIIVDSGKFPWKDYPEKFPQFSQPAEGYHGTIYNEAYGNLAYIVHVRTELLRDLGPLMNPFASFLLLQGVETLSLRAERHGENALKLAKWLEQSPYVSWVSYPGLASHSHHENAKKYLSNGFGGVLSFGVKDLPNADKETDPFKLSGAQVVDNLKLASNLANVGDAKTLVIAPYFTTHKQLNDKEKLASGVTKDLIRVSVGIEFIDDIIADFQQSFETVFAGQKP"}]}