{"ymdb_id":"YMDB00348","created_at":"2011-05-29T18:08:19.000Z","updated_at":"2016-09-08T18:35:22.000Z","name":"1-Methylnicotinamide","cas":"3106-60-3","state":"Solid","melting_point":"","description":"1-Methylnicotinamide is a product of nicotinamide N-methyltransferase [EC 2.1.1.1] in the pathway of nicotinate and nicotinamide metabolism. [KEGG]","experimental_water_solubility":"855 mg/mL [Chloride salt, HMP experimental]","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":"Nelis, Hans J. C. F.; Airy, Subhash C.; Sinsheimer, J. E.  Comparison of the alkylation of nicotinamide and 4-(p-nitrobenzyl)pyridine for the determination of aliphatic epoxides.    Analytical Chemistry  (1982),  54(2),  213-16. ","chebi_id":"16797","hmdb_id":"HMDB00699","kegg_id":"C02918","pubchem_id":"457","cs_id":"73580","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-396","iupac":"3-carbamoyl-1-methylpyridin-1-ium","traditional_iupac":"1-methylnicotinamide","logp":"-4.337154676471745","pka":null,"alogps_solubility":"7.25e-01 g/l","alogps_logp":"-3.72","alogps_logs":"-2.38","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"46.97","refractivity":"39.1349","polarizability":"14.251177983907619","formal_charge":"1","physiological_charge":"1","pka_strongest_basic":"-1.5296412362667113","pka_strongest_acidic":"12.235695057499976","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-Methyl-3-carbamoylpyridinium","1-Methyl-3-carbamoylpyridinium cation","1-Methylnicotinamide","3-Amido-N-methylpyridinium: 1-methyl-3-Pyridinecarboxamide","3-carbamoyl-1-methyl-Pyridinium","I-methyl nicotinamide","N-1-methylnicotinamide","N-Methyl-3-carbamidopyridinium","N-Methyl-3-carbamoylpyridinium ion","N'-methylnicotinamide","N'methylnicotinamide","N1-Methylnicotinamide","Trigonellinamide"],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"}],"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":12736687,"citation":"Anderson, R. M., Bitterman, K. J., Wood, J. G., Medvedik, O., Sinclair, D. A. (2003). \"Nicotinamide and PNC1 govern lifespan extension by calorie restriction in Saccharomyces cerevisiae.\" Nature 423:181-185."}],"proteins":[{"created_at":"2011-05-27T03:42:34.000Z","updated_at":"2011-05-27T15:01:21.000Z","name":"Putative nicotinamide N-methyltransferase","uniprot_id":"Q05874","uniprot_name":"NNT1_YEAST","enzyme":true,"transporter":false,"gene_name":"NNT1","num_residues":261,"molecular_weight":"29632.30078","theoretical_pi":"4.78","general_function":"Involved in nicotinamide N-methyltransferase activity","specific_function":"Putative nicotinamide N-methyltransferase involved in rDNA silencing and in lifespan determination","reactions":[{"id":1776,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2741,"direction":"\u003e","locations":"Cytoplasm","altext":"S-adenosyl-L-methionine + nicotinamide = S-adenosyl-L-homocysteine + 1-methylnicotinamide.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"AY693038","genbank_protein_id":"51013527","gene_card_id":"NNT1","chromosome_location":"chromosome 12","locus":"YLR285W","synonyms":[],"enzyme_classes":["2.1.1.1"],"go_classes":[],"pfams":[{"name":"Methyltransf_16","identifier":"PF10294"}],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"}],"gene_sequence":"ATGTCAGATATAGAATCATTGGGAGAGGCAGCAGGTTTATTTGAGGAGCCAGAGGATTTTCTTCCTCCTCCACCAAAACCTCATTTTGCAGAATATCAAAGGTCACACATCACAAAAGAGTCCAAATCAGATGTTAAAGACATCAAACTCCGTCTCGTTGGAACGTCACCACTTTGGGGTCATCTCTTGTGGAATGCAGGAATATACACCGCAAATCACTTGGATTCTCATCCAGAATTAATAAAGGGGAAGACTGTTTTAGAATTGGGTGCTGCTGCTGCTTTACCTTCCGTTATTTGTGCTTTGAATGGGGCTCAAATGGTTGTTTCAACTGATTATCCAGATCCTGATTTAATGCAGAACATCGATTATAATATAAAGTCTAACGTTCCTGAAGATTTTAATAATGTCAGTACGGAGGGTTATATTTGGGGAAACGATTATTCTCCATTGTTGGCACATATCGAAAAAATAGGTAACAATAATGGAAAGTTTGACTTAATCATTTTAAGTGATTTAGTCTTCAATCATACGGAACATCACAAATTACTTCAAACAACAAAGGATTTATTAGCTGAGAAAGGTCAGGCGTTGGTAGTATTTTCACCGCATAGACCAAAATTGTTGGAGAAGGATTTAGAATTCTTCGAATTGGCTAAGAACGAGTTCCATTTGGTTCCTCAGCTAATTGAAATGGTTAATTGGAAACCGATGTTTGACGAAGACGAGGAAACAATCGAAGTCAGATCTCGTGTTTATGCGTACTATTTAACACATGAAAAGTAG","protein_sequence":"MSDIESLGEAAGLFEEPEDFLPPPPKPHFAEYQRSHITKESKSDVKDIKLRLVGTSPLWGHLLWNAGIYTANHLDSHPELIKGKTVLELGAAAALPSVICALNGAQMVVSTDYPDPDLMQNIDYNIKSNVPEDFNNVSTEGYIWGNDYSPLLAHIEKIGNNNGKFDLIILSDLVFNHTEHHKLLQTTKDLLAEKGQALVVFSPHRPKLLEKDLEFFELAKNEFHLVPQLIEMVNWKPMFDEDEETIEVRSRVYAYYLTHEK"}]}