{"ymdb_id":"YMDB00771","created_at":"2011-05-29T18:51:39.000Z","updated_at":"2016-09-08T18:35:53.000Z","name":"aminoacetaldehyde","cas":"645-36-3","state":"Liquid","melting_point":"-78 oC","description":"Aminoacetaldehyde is a taurine degradation product documented in E. coli. [Biocyc PWY0-981]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"17628","hmdb_id":null,"kegg_id":"C06735","pubchem_id":"69524","cs_id":"356","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-aminoacetaldehyde","traditional_iupac":"aminoacetaldehyde","logp":"-1.3060918093333334","pka":null,"alogps_solubility":"5.40e+02 g/l","alogps_logp":"-1.57","alogps_logs":"0.96","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"43.09","refractivity":"15.078000000000001","polarizability":"5.771723545298947","formal_charge":"0","physiological_charge":"1","pka_strongest_basic":"7.806688375165385","pka_strongest_acidic":"16.639549446687028","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Aminoacetaldehyde","2-Aminoacetaldehyde diethyl acetal","2,2-Diethoxyethanamine","2,2-Diethoxyethylamine","Acetaldehyde, amino-, diethyl acetal","alpha-Aminoacetaldehyde diethyl acetal","Aminoacetaldehyde","Aminoacetaldehyde diethyl acetal","beta-Aminoacetaldehyde diethyl acetal","Ethanamine, 2,2-diethoxy-","Glycinaldehyde diethyl acetal"],"pathways":[{"name":"Taurine and hypotaurine metabolism","kegg_map_id":"00430"},{"name":"Sulfur metabolism","kegg_map_id":"00920"}],"growth_conditions":[],"references":[{"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":10482536,"citation":"Hogan, D. A., Auchtung, T. A., Hausinger, R. P. (1999). \"Cloning and characterization of a sulfonate/alpha-ketoglutarate dioxygenase from Saccharomyces cerevisiae.\" J Bacteriol 181:5876-5879."}],"proteins":[{"created_at":"2011-05-27T02:03:15.000Z","updated_at":"2011-05-27T15:01:16.000Z","name":"Alpha-ketoglutarate-dependent sulfonate dioxygenase","uniprot_id":"Q12358","uniprot_name":"JLP1_YEAST","enzyme":true,"transporter":false,"gene_name":"JLP1","num_residues":412,"molecular_weight":"46982.30078","theoretical_pi":"6.65","general_function":"Involved in oxidoreductase activity","specific_function":"Acts as a alpha-ketoglutarate-dependent dioxygenase active on sulfonates. Although taurine is a poor substrate, a variety of other sulfonates are utilized, with the best natural substrates being isethionate and taurocholate","reactions":[{"id":1994,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":14420,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006933","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY692737","genbank_protein_id":"51012925","gene_card_id":"JLP1","chromosome_location":"chromosome 12","locus":"YLL057C","synonyms":[],"enzyme_classes":["1.14.11.-"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"TauD","identifier":"PF02668"}],"pathways":[{"name":"Sulfur metabolism","kegg_map_id":"00920"}],"gene_sequence":"ATGTCTCCTGCAGCAGCTCAAACAGCAATCCCTCTTCCATCTACCGATTTACCAGTCAAAATCATTACAAATGGGTTGAAAAACCTGAATTATACCTCCAAGCAAGGTTACGGGAATTTTGATACCCATTTTTATGATGGCCAAGATGAGGTCTCTCCATCTGGTTTATTGAAAATCCGTAAATCTTATAGAGAGAAATCGAAGTATCCAGATTATTTGCCTACATGGGATCCTACTGAAAAGTATGGCCCGCTGGAATTTCACGAATACCATGATCCTGCTTTGAGAGCTGACGGTAACTTTTCAAACCTTTTTGCAAAAGAAAACGTTGGTCAACTAAAGGTGAAGAAGATCACCCCGAAATTAGGTCTCGAGATCAATGGGATCCAGCTAACTGATCTTTCTGATGCTGCAAAAGATGAACTCGCTTTGCTTGTCGCCCAAAAGGGAGTAGTTGTCTTTAGAAATCAGAATTTTGCTGACGAGGGACCCGATTATGTGACTGAATACGGAAGACATTTTGGCAAGTTGCACATTCATCAAACTAGTGGCCACCCTCAAAACAATCCTGAGCTGCATATCACTTTCCGAAGACCTGATGCGGAAGAATTTGCAAGAGTTTTTGATGACTCGACATCATCTGGTGGCTGGCACACAGACGTCTCTTACGAGTTACAGCCACCTTCTTATACTTTCTTTAGTGTTGTTGAAGGTCCTGATGGTGGTGGAGATACGTTATTTGCGGATACGATCGAGGCTTTCGACAGGTTGTCGAAGCCTTTGCAAGATTTCTTGAGCACGCTTCATGTCATCCATAGCTCAAAGGAACAGGCAGAGAATTCACAGCGCCAGGGCGGCATAAAAAGAAGAGCACCTGTCACGCATATTCATCCACTGGTCAGAGTTCATCCTGTCTTGAAAAAGAAATGCTTGTATGTCAATCGTGCATTTTCTAGGAAAATAGTCGAATTGAAAAGACAAGAATCTGAATCACTTTTGAATTTCTTGTACAATCTAGTGGAGAGCAGCCATGATTTACAGTTAAGAGCCAAATGGGAACCTCATTCCGTCGTCATTTGGGATAACCGCAGAGTTCAACATTCAGCAGTGATTGATTGGGAAGAACCAATTCACAGACATGCGTTCAGGATTACTCCACAAGCGGAAAGGCCCGTGGAAGATCTAAAGTTTTTGAATGATGAAAATTATTATCCTTCTTCATTAACTTTGGATATTTGA","protein_sequence":"MSPAAAQTAIPLPSTDLPVKIITNGLKNLNYTSKQGYGNFDTHFYDGQDEVSPSGLLKIRKSYREKSKYPDYLPTWDPTEKYGPLEFHEYHDPALRADGNFSNLFAKENVGQLKVKKITPKLGLEINGIQLTDLSDAAKDELALLVAQKGVVVFRNQNFADEGPDYVTEYGRHFGKLHIHQTSGHPQNNPELHITFRRPDAEEFARVFDDSTSSGGWHTDVSYELQPPSYTFFSVVEGPDGGGDTLFADTIEAFDRLSKPLQDFLSTLHVIHSSKEQAENSQRQGGIKRRAPVTHIHPLVRVHPVLKKKCLYVNRAFSRKIVELKRQESESLLNFLYNLVESSHDLQLRAKWEPHSVVIWDNRRVQHSAVIDWEEPIHRHAFRITPQAERPVEDLKFLNDENYYPSSLTLDI"}]}