{"ymdb_id":"YMDB00048","created_at":"2011-05-29T15:51:41.000Z","updated_at":"2016-09-08T18:34:57.000Z","name":"3-Aminopropionaldehyde","cas":"352-92-1","state":"Solid","melting_point":"","description":"3-Aminopropionaldehyde is an intermediate in beta-alanine biosynthesis pathway, where beta-alanine is derived from the degradation of spermine and spermidine. [Biocyc PWY-5760]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":"Bott, Kaspar.  Amidomethylation of trichloroethylene and acetylene:  syntheses of N-protected a-chloro-b-alanines and b-aminopropanals.    Journal of the Chemical Society [Section] D:  Chemical Communications  (1969),   (22),  1304.","chebi_id":"18090","hmdb_id":"HMDB01106","kegg_id":null,"pubchem_id":"75","cs_id":"74","foodb_id":null,"wikipedia_link":null,"biocyc_id":"3-AMINO-PROPANAL","iupac":"3-aminopropanal","traditional_iupac":"3-aminopropanal","logp":"-1.069079073","pka":null,"alogps_solubility":"4.44e+02 g/l","alogps_logp":"-1.23","alogps_logs":"0.78","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"43.09","refractivity":"19.777400000000004","polarizability":"7.711784373202365","formal_charge":"0","physiological_charge":"1","pka_strongest_basic":"9.675566866157903","pka_strongest_acidic":"14.186910038653014","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-Aminopropanal","3-Aminopropionaldehyde","b-Aminopropion aldehyde","beta-Aminopropion aldehyde","β-aminopropion aldehyde"],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"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."},{"pubmed_id":12586697,"citation":"White, W. H., Skatrud, P. L., Xue, Z., Toyn, J. H. (2003). \"Specialization of function among aldehyde dehydrogenases: the ALD2 and ALD3 genes are required for beta-alanine biosynthesis in Saccharomyces cerevisiae.\" Genetics 163:69-77."}],"proteins":[{"created_at":"2011-05-24T20:24:23.000Z","updated_at":"2011-07-22T17:54:08.000Z","name":"Aldehyde dehydrogenase [NAD(P)+] 1","uniprot_id":"P47771","uniprot_name":"ALDH2_YEAST","enzyme":true,"transporter":false,"gene_name":"ALD2","num_residues":506,"molecular_weight":"55187.39844","theoretical_pi":"5.24","general_function":"Involved in oxidoreductase activity","specific_function":"An aldehyde + NAD(P)(+) + H(2)O = an acid + NAD(P)H","reactions":[{"id":1298,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1307,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2315,"direction":"\u003e","locations":"Cytoplasm (Potential)","altext":"An aldehyde + NAD(P)(+) + H(2)O = an acid + NAD(P)H.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm (Potential)","genbank_gene_id":"X85987","genbank_protein_id":"758648","gene_card_id":"ALD2","chromosome_location":"chromosome 13","locus":"YMR170C","synonyms":[],"enzyme_classes":["1.2.1.5"],"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":"Aldedh","identifier":"PF00171"}],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"},{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Tyrosine metabolism","kegg_map_id":"00350"},{"name":"Phenylalanine metabolism","kegg_map_id":"00360"}],"gene_sequence":"ATGCCTACCTTGTATACTGATATCGAAATCCCACAATTGAAAATCTCTTTAAAGCAACCGCTAGGGTGTTTTATCAACAATGAGTTTTGTCCATCATCAGATGGAAAGACCATCGAAACTGTGAACCCAGCTACTGGCGAACCGATAACATCCTTCCAAGCAGCTAACGAAAAGGATGTAGACAAAGCTGTGAAAGCTGCCAGGGCTGCTTTTGATAACGTTTGGTCGAAGACATCTTCTGAGCAACGTGGTATTTATCTTTCAAACTTATTAAAACTTATTGAGGAGGAGCAAGACACACTTGCCGCATTAGAGACTTTAGACGCTGGAAAGCCTTACCATTCAAATGCCAAAGGTGATTTGGCACAAATTTTACAGCTTACCAGATATTTTGCTGGGTCCGCTGATAAGTTTGACAAAGGTGCAACCATACCATTGACTTTTAACAAGTTTGCATATACTCTAAAAGTTCCTTTTGGCGTTGTTGCTCAAATCGTTCCATGGAATTATCCTCTAGCTATGGCTTGTTGGAAATTGCAAGGTGCCTTAGCAGCCGGTAACACGGTTATCATCAAACCTGCTGAGAATACCTCTCTATCTCTACTTTATTTTGCTACTTTAATTAAAAAAGCAGGTTTTCCACCTGGTGTTGTCAATATCGTTCCTGGTTATGGATCACTTGTAGGCCAAGCCCTAGCATCTCACATGGATATCGACAAAATATCTTTTACGGGAAGCACCAAGGTCGGTGGATTTGTGTTGGAAGCTTCCGGCCAATCGAACCTTAAAGACGTTACACTAGAATGCGGTGGTAAGTCTCCTGCTCTCGTATTTGAAGATGCAGACCTTGATAAGGCTATCGATTGGATAGCAGCTGGCATTTTCTACAATTCAGGACAGAATTGTACCGCAAACTCAAGAGTTTATGTTCAAAGTTCGATCTACGACAAGTTTGTTGAAAAGTTTAAAGAAACTGCAAAGAAGGAGTGGGATGTTGCAGGAAAATTTGATCCGTTTGATGAGAAATGCATCGTTGGTCCAGTTATATCAAGTACACAGTATGACCGCATCAAAAGTTACATAGAACGTGGTAAAAGGGAGGAAAAGTTGGACATGTTCCAGACCTCTGAATTTCCTATTGGTGGAGCTAAAGGCTACTTCATTCCCCCAACCATCTTCACTGATGTCCCGCAAACATCGAAACTGTTACAGGATGAGATATTTGGCCCGGTTGTGGTTGTTAGCAAGTTCACAAATTATGATGACGCTCTGAAGCTGGCTAATGATACTTGCTACGGGCTCGCCTCTGCGGTCTTCACAAAAGATGTCAAGAAAGCGCACATGTTTGCTCGCGATATTAAAGCAGGAACTGTTTGGATCAATCAATCTAACGATGAAGATGTTACCGTTCCTTTTGGCGGGTTTAAGATGAGTGGTATTGGTAGAGAACTAGGCGACAACGTCGTTGATACCTATCTACAAACAAAATCAGTTCACATGGATCTCTCTTTGGACAACTAA","protein_sequence":"MPTLYTDIEIPQLKISLKQPLGLFINNEFCPSSDGKTIETVNPATGEPITSFQAANEKDVDKAVKAARAAFDNVWSKTSSEQRGIYLSNLLKLIEEEQDTLAALETLDAGKPYHSNAKGDLAQILQLTRYFAGSADKFDKGATIPLTFNKFAYTLKVPFGVVAQIVPWNYPLAMACWKLQGALAAGNTVIIKPAENTSLSLLYFATLIKKAGFPPGVVNIVPGYGSLVGQALASHMDIDKISFTGSTKVGGFVLEASGQSNLKDVTLECGGKSPALVFEDADLDKAIDWIAAGIFYNSGQNCTANSRVYVQSSIYDKFVEKFKETAKKEWDVAGKFDPFDEKCIVGPVISSTQYDRIKSYIERGKREEKLDMFQTSEFPIGGAKGYFIPPTIFTDVPQTSKLLQDEIFGPVVVVSKFTNYDDALKLANDTCYGLASAVFTKDVKKAHMFARDIKAGTVWINSSNDEDVTVPFGGFKMSGIGRELGQSGVDTYLQTKAVHINLSLDN"},{"created_at":"2011-05-24T20:27:52.000Z","updated_at":"2011-07-22T17:54:08.000Z","name":"Aldehyde dehydrogenase [NAD(P)+] 2","uniprot_id":"P54114","uniprot_name":"ALDH3_YEAST","enzyme":true,"transporter":false,"gene_name":"ALD3","num_residues":506,"molecular_weight":"55384.80078","theoretical_pi":"5.42","general_function":"Involved in oxidoreductase activity","specific_function":"An aldehyde + NAD(P)(+) + H(2)O = an acid + NAD(P)H","reactions":[{"id":1298,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1307,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2315,"direction":"\u003e","locations":"Cytoplasm (Potential)","altext":"An aldehyde + NAD(P)(+) + H(2)O = an acid + NAD(P)H.","export":false,"pw_reaction_id":null,"source":null},{"id":3763,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006287","source":"Smpdb"},{"id":3764,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006418","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z49705","genbank_protein_id":"825574","gene_card_id":"ALD3","chromosome_location":"chromosome 13","locus":"YMR169C","synonyms":[],"enzyme_classes":["1.2.1.5"],"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":"Aldedh","identifier":"PF00171"}],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"},{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Tyrosine metabolism","kegg_map_id":"00350"},{"name":"Phenylalanine metabolism","kegg_map_id":"00360"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"},{"name":"Glycerol metabolism","kegg_map_id":null}],"gene_sequence":"ATGCCTACCTTGTATACTGATATCGAAATCCCACAATTGAAAATCTCTTTAAAGCAACCGCTAGGGTTGTTTATCAACAATGAGTTTTGTCCATCATCAGATGGAAAGACCATCGAAACTGTGAACCCAGCTACTGGCGAACCGATAACATCCTTCCAAGCAGCTAACGAAAAGGATGTAGACAAAGCTGTGAAAGCTGCCAGGGCTGCTTTTGATAACGTTTGGTCGAAGACATCTTCTGAGCAACGTGGTATTTATCTTTCAAACTTATTAAAACTTATTGAGGAGGAGCAAGACACACTTGCCGCATTAGAGACTTTAGACGCTGGTAAGCCTTTCCATTCCAATGCTAAACAAGACTTAGCCCAGATTATAGAACTTACAAGATACTATGCGGGGGCGGTCGACAAGTTCAATATGGGTGAAACCATTCCATTGACTTTTAACAAGTTTGCATATACTCTAAAAGTTCCTTTTGGCGTTGTTGCTCAAATCGTTCCATGGAATTATCCTCTAGCTATGGCTTGTAGAAAAATGCAAGGTGCCTTAGCGGCCGGTAACACGGTTATCATCAAACCTGCTGAAAATACCTCTCTATCTCTACTTTATTTTGCTACTTTAATTAAAAAAGCAGGTTTTCCACCTGGTGTTGTCAATGTCATTCCTGGTTATGGTTCCGTTGTGGGGAAAGCTTTAGGAACCCACATGGATATCGACAAAATATCTTTTACGGGAAGTACTAAGGTTGGCGGCTCAGTATTGGAAGCTTCCGGCCAATCGAACCTTAAGGATATCACACTAGAATGCGGTGGTAAGTCTCCTGCTCTTGTATTTGAAGATGCAGACCTTGATAAGGCTATAGAATGGGTAGCAAATGGTATTTTTTTTAATTCGGGACAGATCTGCACTGCAAACTCAAGAGTTTATGTTCAAAGTTCGATCTACGACAAGTTTGTTGAAAAGTTTAAAGAAACTGCAAAGAAGGAGTGGGATGTTGCAGGAAAATTTGATCCGTTTGATGAGAAATGCATCGTTGGTCCAGTTATATCAAGTACACAGTATGACCGCATCAAAAGTTACATAGAACGTGGTAAAAAGGAGGAAAAGTTGGACATGTTCCAGACCTCTGAATTTCCTATTGGTGGAGCTAAAGGCTACTTCATTCCCCCAACCATCTTCACTGATGTACCAGAAACATCTAAGTTGCTGCGTGATGAAATATTTGGCCCGGTTGTGGTTGTTAGCAAGTTCACAAATTATGATGACGCTCTGAAGCTGGCTAATGATACTTGCTACGGGCTCGCCTCTGCGGTCTTCACCAAAGATGTCAAGAAAGCGCACATGTTTGCTCGCGATATTAAAGCAGGAACTGTTTGGATCAATCAAACCAATCAAGAAGAAGCTAAAGTTCCTTTTGGCGGATTTAAGATGAGTGGTATTGGTAGAGAATCAGGCGACACCGGCGTTGATAACTATTTACAAATAAAATCAGTCCATGTGGATCTTTCATTGGATAAATAA","protein_sequence":"MPTLYTDIEIPQLKISLKQPLGLFINNEFCPSSDGKTIETVNPATGEPITSFQAANEKDVDKAVKAARAAFDNVWSKTSSEQRGIYLSNLLKLIEEEQDTLAALETLDAGKPFHSNAKQDLAQIIELTRYYAGAVDKFNMGETIPLTFNKFAYTLKVPFGVVAQIVPWNYPLAMACRKMQGALAAGNTVIIKPAENTSLSLLYFATLIKKAGFPPGVVNVIPGYGSVVGKALGTHMDIDKISFTGSTKVGGSVLEASGQSNLKDITLECGGKSPALVFEDADLDKAIEWVANGIFFNSGQICTANSRVYVQSSIYDKFVEKFKETAKKEWDVAGKFDPFDEKCIVGPVISSTQYDRIKSYIERGKKEEKLDMFQTSEFPIGGAKGYFIPPTIFTDVPETSKLLRDEIFGPVVVVSKFTNYDDALKLANDTCYGLASAVFTKDVKKAHMFARDIKAGTVWINQTNQEEAKVPFGGFKMSGIGRESGDTGVDNYLQIKSVHVDLSLDK"},{"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"}]}