{"ymdb_id":"YMDB00315","created_at":"2011-05-29T18:05:26.000Z","updated_at":"2016-09-08T18:35:20.000Z","name":"Acetamidopropanal","cas":null,"state":"Solid","melting_point":null,"description":"Acetamidopropanal is associated with urea cycle and metabolism of arginine, proline, glutamate, aspartate and asparagine.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"30322","hmdb_id":"HMDB12880","kegg_id":"C18170","pubchem_id":"5460495","cs_id":"4574010","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-10687","iupac":"N-(3-oxopropyl)acetamide","traditional_iupac":"3-acetamidopropanal","logp":"-1.2502324700000003","pka":"16.100719410678707","alogps_solubility":"4.02e+01 g/l","alogps_logp":"-0.72","alogps_logs":"-0.46","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"46.17","refractivity":"29.221200000000003","polarizability":"11.83593905076419","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.5718537368583139","pka_strongest_acidic":"15.664120946997095","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-acetamidopropanal","3AAP"],"pathways":[],"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":"2011-05-24T21:12:40.000Z","updated_at":"2011-05-27T15:00:57.000Z","name":"Polyamine oxidase FMS1","uniprot_id":"P50264","uniprot_name":"FMS1_YEAST","enzyme":true,"transporter":false,"gene_name":"FMS1","num_residues":508,"molecular_weight":"57805.10156","theoretical_pi":"5.38","general_function":"Amino acid transport and metabolism","specific_function":"Involved in the production of beta-alanine, a precursor of pantothenic acid. Multicopy suppressor of fenpropimorph resistance","reactions":[{"id":1903,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1906,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1907,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2368,"direction":"\u003e","locations":null,"altext":"Spermine + O(2) + H(2)O = spermidine + 3-aminopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2369,"direction":"\u003e","locations":null,"altext":"Spermidine + O(2) + H(2)O = putrescine + 3-aminopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2370,"direction":"\u003e","locations":null,"altext":"N(1)-acetylspermine + O(2) + H(2)O = spermidine + 3-acetamidopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2371,"direction":"\u003e","locations":null,"altext":"N(1)-acetylspermidine + O(2) + H(2)O = putrescine + 3-acetamidopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2372,"direction":"\u003e","locations":null,"altext":"N(8)-acetylspermidine + O(2) + H(2)O = 4-acetamidobutanal + trimethylenediamine + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":3757,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006281","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1YY5","cellular_location":null,"genbank_gene_id":"X81848","genbank_protein_id":"1143556","gene_card_id":"FMS1","chromosome_location":"chromosome 13","locus":"YMR020W","synonyms":["Fenpropimorph resistance multicopy suppressor 1"],"enzyme_classes":["1.5.3.17"],"go_classes":[],"pfams":[{"name":"Amino_oxidase","identifier":"PF01593"}],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGAATACAGTTTCACCAGCCAAAAAAAAGGTTATTATAATTGGTGCCGGTATTGCTGGGCTTAAAGCTGCATCTACGCTACACCAAAACGGTATTCAAGATTGTCTTGTTCTTGAGGCCAGAGATCGGGTCGGTGGTAGGTTGCAAACTGTCACAGGCTATCAAGGTCGGAAATATGATATAGGTGCTAGCTGGCACCATGATACGTTGACAAACCCTTTATTTTTGGAAGAGGCTCAACTGAGTTTGAATGATGGGAGAACGAGGTTTGTTTTTGATGACGATAATTTTATTTATATCGACGAAGAACGTGGAAGGGTAGACCATGACAAGGAACTGCTTCTTGAAATTGTGGACAATGAAATGAGCAAATTCGCAGAGTTAGAATTCCATCAACACTTAGGAGTTTCAGATTGCTCCTTTTTTCAATTAGTAATGAAATACTTACTACAAAGACGCCAATTTCTCACAAATGACCAAATAAGATATTTGCCACAACTCTGTCGATATCTGGAATTGTGGCACGGCTTAGATTGGAAGCTTTTGAGTGCCAAGGATACATACTTCGGTCACCAAGGAAGGAACGCCTTTGCTTTGAACTATGATTCTGTGGTTCAAAGAATTGCTCAAAGCTTTCCTCAAAATTGGTTAAAGCTAAGTTGTGAAGTGAAATCAATTACACGAGAACCTTCAAAAAATGTGACAGTGAACTGTGAAGATGGTACTGTGTACAATGCTGATTATGTTATTATTACAGTACCTCAAAGTGTATTGAATTTGTCTGTACAACCTGAAAAAAATTTACGGGGAAGAATAGAATTTCAACCACCCTTGAAACCAGTGATTCAAGATGCTTTTGACAAGATCCATTTTGGAGCGCTAGGTAAAGTAATTTTTGAGTTTGAAGAATGTTGTTGGTCGAACGAAAGTTCAAAAATTGTAACTTTGGCTAACTCTACCAATGAATTTGTCGAAATAGTACGTAATGCGGAAAATTTAGATGAATTAGACTCTATGCTAGAAAGGGAAGATTCTCAAAAGCATACGAGTGTTACTTGTTGGAGCCAGCCTTTATTTTTCGTAAATTTGTCAAAAAGCACAGGAGTAGCAAGCTTTATGATGTTGATGCAGGCACCGCTTACAAATCACATAGAATCCATTAGAGAAGATAAAGAGCGTCTTTTTAGTTTTTTCCAACCTGTGCTGAACAAGATTATGAAGTGTCTAGATTCTGAGGATGTCATCGACGGAATGAGGCCGATAGAAAACATTGCAAACGCTAATAAACCAGTCTTAAGAAACATCATCGTTAGCAACTGGACACGCGATCCTTACTCACGCGGTGCTTATTCGGCCTGTTTTCCAGGAGATGATCCAGTTGATATGGTTGTTGCAATGTCTAATGGTCAAGACTCCCGCATAAGATTTGCAGGCGAACATACTATCATGGACGGCGCCGGCTGTGCCTATGGTGCTTGGGAAAGCGGAAGACGGGAGGCGACTCGAATCTCTGACTTACTGAAATAG","protein_sequence":"MNTVSPAKKKVIIIGAGIAGLKAASTLHQNGIQDCLVLEARDRVGGRLQTVTGYQGRKYDIGASWHHDTLTNPLFLEEAQLSLNDGRTRFVFDDDNFIYIDEERGRVDHDKELLLEIVDNEMSKFAELEFHQHLGVSDCSFFQLVMKYLLQRRQFLTNDQIRYLPQLCRYLELWHGLDWKLLSAKDTYFGHQGRNAFALNYDSVVQRIAQSFPQNWLKLSCEVKSITREPSKNVTVNCEDGTVYNADYVIITVPQSVLNLSVQPEKNLRGRIEFQPPLKPVIQDAFDKIHFGALGKVIFEFEECCWSNESSKIVTLANSTNEFVEIVRNAENLDELDSMLEREDSQKHTSVTCWSQPLFFVNLSKSTGVASFMMLMQAPLTNHIESIREDKERLFSFFQPVLNKIMKCLDSEDVIDGMRPIENIANANKPVLRNIIVSNWTRDPYSRGAYSACFPGDDPVDMVVAMSNGQDSRIRFAGEHTIMDGAGCAYGAWESGRREATRISDLLK"}]}