{"ymdb_id":"YMDB00320","created_at":"2011-05-29T18:05:55.000Z","updated_at":"2016-09-08T18:35:20.000Z","name":"S-Formylglutathione","cas":"50409-81-9","state":"Solid","melting_point":"","description":"S-Formylglutathione is formed from the oxidation of S-hydroxymethylglutathione by the enzyme formaldehyde dehydrogenase [EC 1.2.1.1] in the presence of NAD.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"16225","hmdb_id":"HMDB01550","kegg_id":"C01031","pubchem_id":"488","cs_id":"164320","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-548","iupac":"(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(formylsulfanyl)ethyl]carbamoyl}butanoic acid","traditional_iupac":"S-formylglutathione","logp":"-5.131038239356378","pka":"3.4918058242861325","alogps_solubility":"3.62e+00 g/l","alogps_logp":"-2.87","alogps_logs":"-1.97","acceptor_count":"8","donor_count":"5","rotatable_bond_count":"11","polar_surface_area":"175.89","refractivity":"74.09219999999999","polarizability":"31.171722069768776","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"9.310913193703724","pka_strongest_acidic":"1.7567593811675852","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["S-Formylglutathione"],"pathways":[{"name":"Methane metabolism","kegg_map_id":"00680"}],"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":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"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":"2011-05-24T20:25:28.000Z","updated_at":"2011-07-22T17:54:08.000Z","name":"S-(hydroxymethyl)glutathione dehydrogenase","uniprot_id":"P32771","uniprot_name":"FADH_YEAST","enzyme":true,"transporter":false,"gene_name":"SFA1","num_residues":386,"molecular_weight":"41041.69922","theoretical_pi":"6.76","general_function":"Involved in zinc ion binding","specific_function":"Oxidizes long-chain alcohols and, in the presence of glutathione, is able to oxidize formaldehyde. Is responsible for yeast resistance to 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activity"},{"category":"Function","description":" zinc ion binding"},{"category":"Function","description":" oxidoreductase activity, acting on CH-OH group of donors"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" S-(hydroxymethyl)glutathione dehydrogenase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" small molecule metabolic process"},{"category":"Process","description":" alcohol metabolic process"},{"category":"Process","description":" monohydric alcohol metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" ethanol metabolic process"},{"category":"Process","description":" ethanol oxidation"}],"pfams":[{"name":"ADH_N","identifier":"PF08240"},{"name":"ADH_zinc_N","identifier":"PF00107"}],"pathways":[{"name":"Methane 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hydrolase","uniprot_id":"P40363","uniprot_name":"SFGH_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":299,"molecular_weight":"33934.0","theoretical_pi":"6.7","general_function":"Involved in carboxylesterase activity","specific_function":"Serine hydrolase involved in the detoxification of formaldehyde","reactions":[{"id":1958,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2702,"direction":"\u003e","locations":"Cytoplasm","altext":"S-formylglutathione + H(2)O = glutathione + formate.","export":false,"pw_reaction_id":null,"source":null},{"id":2703,"direction":"\u003e","locations":"Cytoplasm","altext":"4-methylumbelliferyl acetate + H2O = 4-methylumbelliferone + acetate","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1PV1","cellular_location":"Cytoplasm","genbank_gene_id":"X88851","genbank_protein_id":"895893","gene_card_id":null,"chromosome_location":null,"locus":"YJL068C","synonyms":["FGH"],"enzyme_classes":["3.1.2.12","3.1.1.56"],"go_classes":[{"category":"Component","description":" vesicle"},{"category":"Component","description":" cytoplasmic vesicle"},{"category":"Component","description":" cytoplasmic membrane-bounded vesicle"},{"category":"Component","description":" organelle"},{"category":"Function","description":" thiolester hydrolase activity"},{"category":"Function","description":" S-formylglutathione hydrolase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Function","description":" carboxylesterase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"Esterase","identifier":"PF00756"}],"pathways":[{"name":"Methane metabolism","kegg_map_id":"00680"}],"gene_sequence":"GATCAAGTTGTCACATAACTCGAACTCTACCAAGACCAGCATGAACGTCAATATCTATTTGCCTAAGCACTATTACGCCCAAGATTTTCCAAGAAATAAGCGTATCCCAACTGTGTTTTACCTTTCTGGCTTGACGTGCACGCCAGACAACGCCTCTGAGAAGGCTTTTTGGCAGTTTCAAGCTGACAAGTACGGATTTGCAATAGTCTTTCCGGATACGTCCCCACGTGGTGACGAAGTAGCCAATGATCCTGAGGGCTCCTGGGATTTTGGACAGGGCGCCGGATTCTATCTAAATGCCACCCAAGAACCATACGCCCAACATTACCAGATGTACGACTACATTCACAAAGAACTCCCACAAACATTAGATTCTCATTTTAACAAGAACGGTGACGTAAAGCTGGACTTCTTGGACAATGTTGCCATCACAGGCCATTCGATGGGGGGATATGGTGCAATTTGTGGGTATTTGAAGGGCTATTCCGGAAAGAGATACAAATCTTGTTCTGCCTTCGCCCCTATCGTGAACCCTTCCAACGTTCCCTGGGGTCAAAAAGCGTTTAAAGGTTATCTGGGCGAAGAAAAAGCCCAGTGGGAAGCGTACGACCCATGTTTATTAATCAAGAATATTAGACATGTGGGCGACGACAGAATTTTGATCCATGTAGGAGACTCCGATCCCTTTTTGGAAGAACACTTGAAACCGGAATTACTACTTGAGGCGGTGAAAGCCACTTCATGGCAGGACTACGTGGAAATAAAAAAAGTTCACGGCTTTGATCACTCCTATTACTTTGTCAGCACTTTCGTTCCAGAACATGCTGAATTTCATGCGCGAAACTTGGGTTTGATTTGA","protein_sequence":"MKVVKEFSVCGGRLIKLSHNSNSTKTSMNVNIYLPKHYYAQDFPRNKRIPTVFYLSGLTCTPDNASEKAFWQFQADKYGFAIVFPDTSPRGDEVANDPEGSWDFGQGAGFYLNATQEPYAQHYQMYDYIHKELPQTLDSHFNKNGDVKLDFLDNVAITGHSMGGYGAICGYLKGYSGKRYKSCSAFAPIVNPSNVPWGQKAFKGYLGEEKAQWEAYDPCLLIKNIRHVGDDRILIHVGDSDPFLEEHLKPELLLEAVKATSWQDYVEIKKVHGFDHSYYFVSTFVPEHAEFHARNLGLI"}]}