{"ymdb_id":"YMDB00857","created_at":"2011-05-29T18:58:45.000Z","updated_at":"2016-09-08T18:35:59.000Z","name":"propionic acid","cas":"79-09-4","state":"Liquid","melting_point":"-20.7 oC","description":"Propanoic acid (propionic acid) is a naturally-occurring carboxylic acid. It is a clear liquid with a pungent odor. It is produced biologically as its coenzyme A ester, propionyl-CoA, from the metabolic breakdown of fatty acids containing odd numbers of carbon atoms. It is also the breakdown product of certain amino acids.","experimental_water_solubility":"1000 mg/mL at 25 oC [US EPA (1981)]","experimental_logp_hydrophobicity":"0.33 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":"Zhan, Jianghong; Meng, Wei; Gong, Tao; Huang, Fen-sheng.  Preparation of propionic acid by propionaldehyde oxidation.    Shihua Jishu Yu Yingyong  (2005),  23(6),  421-423.","chebi_id":"30768","hmdb_id":"HMDB00237","kegg_id":"C00163","pubchem_id":"1032","cs_id":"1005","foodb_id":null,"wikipedia_link":"Propanoic_acid","biocyc_id":"PROPIONATE","iupac":"propanoic acid","traditional_iupac":"propanoic acid","logp":"0.47719013266666654","pka":null,"alogps_solubility":"3.52e+02 g/l","alogps_logp":"0.31","alogps_logs":"0.68","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"37.3","refractivity":"17.2706","polarizability":"7.24434341571555","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.7546711681673255","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["acide propanoique","Carboxyethane","Ethanecarboxylate","Ethanecarboxylic acid","Ethylformate","Ethylformic acid","Kyselina propionova","Luprisol","Luprosil","Metacetonate","Metacetonic acid","Methylacetate","Methylacetic acid","MonoProp","n-propionic acid","PA","propanate","propanoate","propanoic acid","Propcorn","propioic acid","Propionate","Propionic acid","Propionsaeure","Propkorn","propoic acid","Prozoin","Pseudoacetate","Pseudoacetic acid"],"pathways":[{"name":"Propanoate metabolism","kegg_map_id":"00640"},{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"}],"growth_conditions":[],"references":[{"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":2884217,"citation":"Patel, S. S., Walt, D. R. (1987). \"Substrate specificity of acetyl coenzyme A synthetase.\" J Biol Chem 262:7132-7134."}],"proteins":[{"created_at":"2011-05-24T21:50:30.000Z","updated_at":"2011-07-22T17:53:55.000Z","name":"Acetyl-coenzyme A synthetase 1","uniprot_id":"Q01574","uniprot_name":"ACS1_YEAST","enzyme":true,"transporter":false,"gene_name":"ACS1","num_residues":713,"molecular_weight":"79140.10156","theoretical_pi":"6.6","general_function":"Involved in acetate-CoA ligase activity","specific_function":"Catalyzes the production of acetyl-CoA. Provides the acetyl-CoA source for histone acetylation in the nucleus. \"Aerobic\" isozyme of acetyl-coenzyme A synthetase, which supports growth on nonfermentable carbon sources such as glycerol and ethanol. May be required for assimilation of ethanol and acetate","reactions":[{"id":1242,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2397,"direction":"\u003e","locations":"Cytoplasm. Nucleus.;Microsome (Potential). Cytoplasm. Mitochondrion. Nucleus","altext":"ATP + acetate + CoA = AMP + diphosphate + acetyl-CoA.","export":false,"pw_reaction_id":null,"source":null},{"id":14126,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006563","source":"Smpdb"},{"id":14127,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006564","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1RY2","cellular_location":"Microsome (Potential). Cytoplasm. Mitochondrion. Nucleus","genbank_gene_id":"AY723758","genbank_protein_id":"51830202","gene_card_id":"ACS1","chromosome_location":"chromosome 1","locus":"YAL054C","synonyms":["Acetate--CoA ligase 1","Acyl-activating enzyme 1"],"enzyme_classes":["6.2.1.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ligase activity, forming carbon-sulfur bonds"},{"category":"Function","description":" CoA-ligase activity"},{"category":"Function","description":" AMP binding"},{"category":"Function","description":" acetate-CoA ligase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"AMP-binding","identifier":"PF00501"}],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"},{"name":"Pyruvate metabolism","kegg_map_id":"00620"},{"name":"Propanoate metabolism","kegg_map_id":"00640"},{"name":"Methane metabolism","kegg_map_id":"00680"}],"gene_sequence":"ATGTCGCCCTCTGCCGTACAATCATCAAAACTAGAAGAACAGTCAAGTGAAATTGACAAGTTGAAAGCAAAAATGTCCCAGTCTGCCGCCACTGCGCAGCAGAAGAAGGAACATGAGTATGAACATTTGACTTCGGTCAAGATCGTGCCACAACGGCCCATCTCAGATAGACTGCAGCCCGCAATTGCTACCCACTATTCTCCACACTTGGACGGGTTGCAGGACTATCAGCGCTTGCACAAGGAGTCTATTGAAGACCCTGCTAAGTTCTTCGGTTCTAAAGCTACCCAATTTTTAAACTGGTCTAAGCCATTCGATAAGGTGTTCATCCCAGACCCTAAAACGGGCAGGCCCTCCTTCCAGAACAATGCATGGTTCCTCAACGGCCAATTAAACGCCTGTTACAACTGTGTTGACAGACATGCCTTGAAGACTCCTAACAAGAAAGCCATTATTTTCGAAGGTGACGAGCCTGGCCAAGGCTATTCCATTACCTACAAGGAACTACTTGAAGAAGTTTGTCAAGTGGCACAAGTGCTGACTTACTCTATGGGCGTTCGCAAGGGCGATACTGTTGCCGTGTACATGCCTATGGTCCCAGAAGCAATCATAACCTTGTTGGCCATTTCCCGTATCGGTGCCATTCACTCCGTAGTCTTTGCCGGGTTTTCTTCCAACTCCTTGAGAGATCGTATCAACGATGGGGACTCTAAAGTTGTCATCACTACAGATGAATCCAACAGAGGTGGTAAAGTCATTGAGACTAAAAGAATTGTTGATGACGCGCTAAGAGAGACCCCAGGCGTGAGACACGTCTTGGTTTATAGAAAGACCAACAATCCATCTGTTGCTTTCCATGCCCCCAGAGATTTGGATTGGGCAACAGAAAAGAAGAAATACAAGACCTACTATCCATGCACACCCGTTGATTCTGAGGATCCATTATTCTTGTTGTATACGTCTGGTTCTACTGGTGCCCCCGAGGGTGTTCAACATTCTACCGCAGGTTACTTGCTGGGAGCTTTGTTGACCATGCGCTACACTTTTGACACTCACCAAGAAGACGTTTTCTTCACAGCTGGAGACATTGGCTGGATTACAGGCCACACTTATGTGGTTTATGGTCCCTTACTATATGGTTGTGCCACTTTGGTCTTTGAAGGGACTCCTGCGTACCCAAATTACTCCCGTTATTGGGATATTATTGATGAACACAAAGTCACCCAATTTTATGTTGCGCCAACTGCTTTGCGTTTGTTGAAAAGAGCTGGTGATTCCTACATCGAAAATCATTCCTTAAAATCTTTGCGTTGCTTGGGTTCGGTCGGTGAGCCAATTGCTGCTGAAGTTTGGGAGTGGTACTCTGAAAAAATAGGTAAAAATGAAATCCCCATTGTAGACACCTACTGGCAAACAGAATCTGGTTCGCATCTGGTCACCCCGCTGGCTGGTGGTGTTACACCAATGAAACCGGGTTCTGCCTCATTCCCCTTCTTCGGTATTGATGCAGTTGTTCTTGACCCTAACACTGGTGAAGAACTTAACACCAGCCACGCAGAGGGTGTCCTTGCCGTCAAAGCTGCATGGCCATCATTTGCAAGAACTATTTGGAAAAATCATGATAGGTATCTAGACACTTATTTGAACCCTTACCCTGGCTACTATTTCACTGGTGATGGTGCTGCAAAGGATAAGGATGGTTATATCTGGATTTTGGGTCGTGTAGACGATGTGGTGAACGTCTCTGGTCACCGTCTGTCTACCGCTGAAATTGAGGCTGCTATTATCGAAGATCCAATTGTGGCCGAGTGTGCTGTTGTCGGATTCAACGATGACTTGACTGGTCAAGCAGTTGCTGCATTTGTGGTGTTGAAAAACAAATCTAGTTGGTCCACCGCAACAGATGATGAATTACAAGATATCAAGAAGCATTTGGTCTTTACTGTTAGAAAAGACATCGGGCCATTTGCCGCACCAAAATTGATCATTTTAGTGGATGACTTGCCCAAGACAAGATCCGGCAAAATTATGAGACGTATTTTAAGAAAAATCCTAGCAGGAGAAAGTGACCAACTAGGCGACGTTTCTACATTGTCAAACCCTGGCATTGTTAGACATCTAATTGATTCGGTCAAGTTGTAA","protein_sequence":"MSPSAVQSSKLEEQSSEIDKLKAKMSQSAATAQQKKEHEYEHLTSVKIVPQRPISDRLQPAIATHYSPHLDGLQDYQRLHKESIEDPAKFFGSKATQFLNWSKPFDKVFIPDPKTGRPSFQNNAWFLNGQLNACYNCVDRHALKTPNKKAIIFEGDEPGQGYSITYKELLEEVCQVAQVLTYSMGVRKGDTVAVYMPMVPEAIITLLAISRIGAIHSVVFAGFSSNSLRDRINDGDSKVVITTDESNRGGKVIETKRIVDDALRETPGVRHVLVYRKTNNPSVAFHAPRDLDWATEKKKYKTYYPCTPVDSEDPLFLLYTSGSTGAPKGVQHSTAGYLLGALLTMRYTFDTHQEDVFFTAGDIGWITGHTYVVYGPLLYGCATLVFEGTPAYPNYSRYWDIIDEHKVTQFYVAPTALRLLKRAGDSYIENHSLKSLRCLGSVGEPIAAEVWEWYSEKIGKNEIPIVDTYWQTESGSHLVTPLAGGVTPMKPGSASFPFFGIDAVVLDPNTGEELNTSHAEGVLAVKAAWPSFARTIWKNHDRYLDTYLNPYPGYYFTGDGAAKDKDGYIWILGRVDDVVNVSGHRLSTAEIEAAIIEDPIVAECAVVGFNDDLTGQAVAAFVVLKNKSSWSTATDDELQDIKKHLVFTVRKDIGPFAAPKLIILVDDLPKTRSGKIMRRILRKILAGESDQLGDVSTLSNPGIVRHLIDSVKL"},{"created_at":"2011-05-24T21:52:26.000Z","updated_at":"2011-07-22T17:53:55.000Z","name":"Acetyl-coenzyme A synthetase 2","uniprot_id":"P52910","uniprot_name":"ACS2_YEAST","enzyme":true,"transporter":false,"gene_name":"ACS2","num_residues":683,"molecular_weight":"75491.10156","theoretical_pi":"6.67","general_function":"Involved in acetate-CoA ligase activity","specific_function":"Catalyzes the production of acetyl-CoA. Provides the acetyl-CoA source for histone acetylation in the nucleus. \"Anaerobic\" isozyme of acetyl-coenzyme A synthetase, which is required for growth on fermentable carbon sources such as glucose. May be involved in the PDH (pyruvate dehydrogenase complex) bypass","reactions":[{"id":1242,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1243,"direction":"\u003c\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2397,"direction":"\u003e","locations":"Cytoplasm. Nucleus.;Microsome (Potential). Cytoplasm. Mitochondrion. Nucleus","altext":"ATP + acetate + CoA = AMP + diphosphate + acetyl-CoA.","export":false,"pw_reaction_id":null,"source":null},{"id":14126,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006563","source":"Smpdb"},{"id":14127,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006564","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus.","genbank_gene_id":"S79456","genbank_protein_id":"1168014","gene_card_id":"ACS2","chromosome_location":"chromosome 12","locus":"YLR153C","synonyms":["Acetate--CoA ligase 2","Acyl-activating enzyme 2"],"enzyme_classes":["6.2.1.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ligase activity, forming carbon-sulfur bonds"},{"category":"Function","description":" CoA-ligase activity"},{"category":"Function","description":" AMP binding"},{"category":"Function","description":" acetate-CoA ligase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"AMP-binding","identifier":"PF00501"}],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"},{"name":"Pyruvate metabolism","kegg_map_id":"00620"},{"name":"Propanoate metabolism","kegg_map_id":"00640"},{"name":"Methane metabolism","kegg_map_id":"00680"}],"gene_sequence":"ATGACAATCAAGGAACATAAAGTAGTTTATGAAGCTCACAACGTAAAGGCTCTTAAGGCTCCTCAACATTTTTACAACAGCCAACCCGGCAAGGGTTACGTTACTGATATGCAACATTATCAAGAAATGTATCAACAATCTATCAATGAGCCAGAAAAATTCTTTGATAAGATGGCTAAGGAATACTTGCATTGGGATGCTCCATACACCAAAGTTCAATCTGGTTCATTGAACAATGGTGATGTTGCATGGTTTTTGAACGGTAAATTGAATGCATCATACAATTGTGTTGACAGACATGCCTTTGCTAATCCCGACAAGCCAGCTTTGATCTATGAAGCTGATGACGAATCCGACAACAAAATCATCACATTTGGTGAATTACTCAGAAAAGTTTCCCAAATCGCTGGTGTCTTAAAAAGCTGGGGCGTTAAGAAAGGTGACACAGTGGCTATCTATTTGCCAATGATTCCAGAAGCGGTCATTGCTATGTTGGCTGTGGCTCGTATTGGTGCTATTCACTCTGTTGTCTTTGCTGGGTTCTCCGCTGGTTCGTTGAAAGATCGTGTCGTTGACGCTAATTCTAAAGTGGTCATCACTTGTGATGAAGGTAAAAGAGGTGGTAAGACCATCAACACTAAAAAAATTGTTGACGAAGGTTTGAACGGAGTCGATTTGGTTTCCCGTATCTTGGTTTTCCAAAGAACTGGTACTGAAGGTATTCCAATGAAGGCCGGTAGAGATTACTGGTGGCATGAGGAGGCCGCTAAGCAGAGAACTTACCTACCTCCTGTTTCATGTGACGCTGAAGATCCTCTATTTTTATTATACACTTCCGGTTCCACTGGTTCTCCAAAGGGTGTCGTTCACACTACAGGTGGTTATTTATTAGGTGCCGCTTTAACAACTAGATACGTTTTTGATATTCACCCAGAAGATGTTCTCTTCACTGCCGGTGACGTCGGCTGGATCACGGGTCACACCTATGCTCTATATGGTCCATTAACCTTGGGTACCGCCTCAATAATTTTCGAATCCACTCCTGCCTACCCAGATTATGGTAGATATTGGAGAATTATCCAACGTCACAAGGCTACCCATTTCTATGTGGCTCCAACTGCTTTAAGATTAATCAAACGTGTAGGTGAAGCCGAAATTGCCAAATATGACACTTCCTCATTACGTGTCTTGGGTTCCGTCGGTGAACCAATCTCTCCAGACTTATGGGAATGGTATCATGAAAAAGTGGGTAACAAAAACTGTGTCATTTGTGACACTATGTGGCAAACAGAGTCTGGTTCTCATTTAATTGCTCCTTTGGCAGGTGCTGTCCCAACAAAACCTGGTTCTGCTACCGTGCCATTCTTTGGTATTAACGCTTGTATCATTGACCCTGTTACAGGTGTGGAATTAGAAGGTAATGATGTCGAAGGTGTCCTTGCCGTTAAATCACCATGGCCATCAATGGCTAGATCTGTTTGGAACCACCACGACCGTTACATGGATACTTACTTGAAACCTTATCCTGGTCACTATTTCACAGGTGATGGTGCTGGTAGAGATCATGATGGTTACTACTGGATCAGGGGTAGAGTTGACGACGTTGTAAATGTTTCCGGTCATAGATTATCCACATCAGAAATTGAAGCATCTATCTCAAATCACGAAAACGTCTCGGAAGCTGCTGTTGTCGGTATTCCAGATGAATTGACCGGTCAAACCGTCGTTGCATATGTTTCCCTAAAAGATGGTTATCTACAAAACAACGCTACTGAAGGTGATGCAGAACACATCACACCAGATAATTTACGTAGAGAATTGATCTTACAAGTTAGGGGTGAGATTGGTCCTTTCGCCTCACCAAAAACCATTATTCTAGTTAGAGATCTACCAAGAACAAGGTCAGGAAAGATTATGAGAAGAGTTCTAAGAAAGGTTGCTTCTAACGAAGCCGAACAGCTAGGTGACCTAACTACTTTGGCCAACCCAGAAGTTGTACCTGCCATCATTTCTGCTGTAGAGAACCAATTTTTCTCTCAAAAAAAGAAATAA","protein_sequence":"MTIKEHKVVYEAHNVKALKAPQHFYNSQPGKGYVTDMQHYQEMYQQSINEPEKFFDKMAKEYLHWDAPYTKVQSGSLNNGDVAWFLNGKLNASYNCVDRHAFANPDKPALIYEADDESDNKIITFGELLRKVSQIAGVLKSWGVKKGDTVAIYLPMIPEAVIAMLAVARIGAIHSVVFAGFSAGSLKDRVVDANSKVVITCDEGKRGGKTINTKKIVDEGLNGVDLVSRILVFQRTGTEGIPMKAGRDYWWHEEAAKQRTYLPPVSCDAEDPLFLLYTSGSTGSPKGVVHTTGGYLLGAALTTRYVFDIHPEDVLFTAGDVGWITGHTYALYGPLTLGTASIIFESTPAYPDYGRYWRIIQRHKATHFYVAPTALRLIKRVGEAEIAKYDTSSLRVLGSVGEPISPDLWEWYHEKVGNKNCVICDTMWQTESGSHLIAPLAGAVPTKPGSATVPFFGINACIIDPVTGVELEGNDVEGVLAVKSPWPSMARSVWNHHDRYMDTYLKPYPGHYFTGDGAGRDHDGYYWIRGRVDDVVNVSGHRLSTSEIEASISNHENVSEAAVVGIPDELTGQTVVAYVSLKDGYLQNNATEGDAEHITPDNLRRELILQVRGEIGPFASPKTIILVRDLPRTRSGKIMRRVLRKVASNEAEQLGDLTTLANPEVVPAIISAVENQFFSQKKK"}]}