{"ymdb_id":"YMDB00569","created_at":"2011-05-29T18:31:58.000Z","updated_at":"2016-09-08T18:35:38.000Z","name":"Ethyl acetate","cas":"141-78-6","state":"Liquid","melting_point":"-83.6 oC","description":"Ethyl acetate is the ester of ethanol and acetic acid. This colorless liquid has a characteristic sweet smell similar to pear drops. It is also responsible for apple-like, banana-like, raspberry-like and strawberry aromas.","experimental_water_solubility":"80 mg/mL at 25 oC [BANERJEE,S (1984)]","experimental_logp_hydrophobicity":"0.73 [HANSCH,C ET AL. (1995)]","location":"extracellular;cytoplasm","synthesis_reference":null,"chebi_id":"27750","hmdb_id":null,"kegg_id":"C00849","pubchem_id":"8857","cs_id":"8525","foodb_id":null,"wikipedia_link":"Ethyl_acetate","biocyc_id":null,"iupac":"ethyl acetate","traditional_iupac":"ethyl acetate","logp":"0.2793562963333335","pka":null,"alogps_solubility":"1.23e+02 g/l","alogps_logp":"0.74","alogps_logs":"0.14","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"26.3","refractivity":"22.1614","polarizability":"9.282047002265692","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.993208384115184","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-acetoxyethane","ac. acetic ethyl ester","acetic acid ethyl ester","Acetic acid, ethyl ester","Acetic ester","Acetic ether","Acetidin","Acetoxyethane","Aethylacetat","CH3-CO-O-CH3","CH3COOC2H5","Essigsaeureethylester","Ethyl acetate","Ethyl acetic ester","Ethyl ethanoate","Ethylacetaat","Ethylacetat","Ethylazetat","Ethyle","Ethylester kyseliny octove","Etile","Vinegar naphtha"],"pathways":[],"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":10855721,"citation":"Fukuda, K., Kiyokawa, Y., Yanagiuchi, T., Wakai, Y., Kitamoto, K., Inoue, Y., Kimura, A. (2000). \"Purification and characterization of isoamyl acetate-hydrolyzing esterase encoded by the IAH1 gene of Saccharomyces cerevisiae from a recombinant Escherichia coli.\" Appl Microbiol Biotechnol 53:596-600."},{"pubmed_id":12957907,"citation":"Verstrepen, K. J., Van Laere, S. D., Vanderhaegen, B. M., Derdelinckx, G., Dufour, J. P., Pretorius, I. S., Winderickx, J., Thevelein, J. M., Delvaux, F. R. (2003). \"Expression levels of the yeast alcohol acetyltransferase genes ATF1, Lg-ATF1, and ATF2 control the formation of a broad range of volatile esters.\" Appl Environ Microbiol 69:5228-5237."}],"proteins":[{"created_at":"2011-05-24T21:55:21.000Z","updated_at":"2011-07-22T17:54:02.000Z","name":"Alcohol O-acetyltransferase 1","uniprot_id":"P40353","uniprot_name":"ATF1_YEAST","enzyme":true,"transporter":false,"gene_name":"ATF1","num_residues":525,"molecular_weight":"61035.5","theoretical_pi":"6.96","general_function":"Involved in alcohol O-acetyltransferase activity","specific_function":"Catalyzes the esterification of isoamyl alcohol and various other alcohols by acetyl-CoA","reactions":[{"id":1286,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1287,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1288,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1289,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1290,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2396,"direction":"\u003e","locations":"Membrane;Cytoplasmic; Peripheral membrane protein","altext":"Acetyl-CoA + an alcohol = CoA + an acetyl ester.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Membrane; Peripheral membrane 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process"},{"category":"Process","description":" alcohol metabolic process"}],"pfams":[{"name":"AATase","identifier":"PF07247"}],"pathways":[],"gene_sequence":"ATGAATGAAATCGATGAGAAAAATCAGGCCCCCGTGCAACAAGAATGCCTGAAAGAGATGATTCAGAATGGGCATGCTCGGCGTATGGGATCTGTTGAAGATCTGTATGTTGCTCTCAACAGACAAAACTTATATCGGAACTTCTGCACATATGGAGAATTGAGTGATTACTGTACTAGGGATCAGCTCACATTAGCTTTGAGGGAAATCTGCCTGAAAAATCCAACTCTTTTACATATTGTTCTACCAATAAGATGGCCAAATCATGAAAATTATTATCGCAGTTCCGAATACTATTCACGGCCACATCCAGTGCATGATTATATTTCAGTATTACAGGAATTGAAACTGAGTGGTGTGGTTCTCAATGAACAACCTGAGTACAGTGCAGTAATGAAGCAAATATTAGAAGAATTCAAAAATAGTAAGGGTTCCTATACTGCAAAAATTTTTAAACTTACTACCACTTTGACTATTCCTTACTTTGGACCAACAGGACCGAGTTGGCGGCTAATTTGTCTTCCAGAAGAGCACACAGAAAAGTGGAAAAAATTTATCTTTGTATCTAATCATTGCATGTCTGATGGTCGGTCTTCGATCCACTTTTTTCATGATTTAAGAGACGAATTAAATAATATTAAAACTCCACCAAAAAAATTAGATTACATTTTCAAGTACGAGGAGGATTACCAATTGTTGAGGAAACTTCCAGAACCGATCGAAAAGGTGATAGACTTTAGACCACCGTACTTGTTTATTCCGAAGTCACTTCTTTCGGGTTTCATCTACAATCATTTGAGATTTTCTTCAAAAGGTGTCTGTATGAGAATGGATGATGTGGAAAAAACCGATGATGTTGTCACCGAGATCATCAATATTTCACCAACAGAATTTCAAGCGATTAAAGCAAATATTAAATCAAATATCCAAGGTAAGTGTACTATCACTCCGTTTTTACATGTTTGTTGGTTTGTATCTCTTCATAAATGGGGTAAATTTTTCAAACCATTGAACTTCGAATGGCTTACGGATATTTTTATCCCCGCAGATTGCCGCTCACAACTACCAGATGATGATGAAATGAGACAGATGTACAGATATGGCGCTAACGTTGGATTTATTGACTTCACCCCATGGATAAGCGAATTTGACATGAATGATAACAAAGAAAAATTTTGGCCACTTATTGAGCACTACCATGAAGTAATTTCGGAAGCTTTAAGAAATAAAAAGCACCTCCATGGCTTAGGGTTCAATATACAAGGCTTCGTTCAAAAATATGTGAATATTGACAAGGTAATGTGCGATCGTGCCATCGGGAAAAGACGCGGAGGTACATTGTTAAGCAATGTAGGTCTGTTTAATCAGTTAGAGGAGCCCGATGCCAAATATTCTATATGCGATTTGGCATTTGGCCAATTTCAAGGATCCTGGCACCAAGCATTTTCCTTGGGTGTTTGTTCGACTAATGTAAAGGGGATGAATATTGTTGTTGCTTCAACAAAAAATGTTGTTGGTAGCCAAGAATCTCTCGAAGAGCTTTGCTCCATTTATAAAGCTCTCCTTTTAGGCCCTTAG","protein_sequence":"MNEIDEKNQAPVQQECLKEMIQNGHARRMGSVEDLYVALNRQNLYRNFCTYGELSDYCTRDQLTLALREICLKNPTLLHIVLPTRWPNHENYYRSSEYYSRPHPVHDYISVLQELKLSGVVLNEQPEYSAVMKQILEEFKNSKGSYTAKIFKLTTTLTIPYFGPTGPSWRLICLPEEHTEKWKKFIFVSNHCMSDGRSSIHFFHDLRDELNNIKTPPKKLDYIFKYEEDYQLLRKLPEPIEKVIDFRPPYLFIPKSLLSGFIYNHLRFSSKGVCMRMDDVEKTDDVVTEIINISPTEFQAIKANIKSNIQGKCTITPFLHVCWFVSLHKWGKFFKPLNFEWLTDIFIPADCRSQLPDDDEMRQMYRYGANVGFIDFTPWISEFDMNDNKENFWPLIEHYHEVISEALRNKKHLHGLGFNIQGFVQKYVNIDKVMCDRAIGKRRGGTLLSNVGLFNQLEEPDAKYSICDLAFGQFQGSWHQAFSLGVCSTNVKGMNIVVASTKNVVGSQESLEELCSIYKALLLGP"},{"created_at":"2011-05-26T16:13:02.000Z","updated_at":"2011-07-22T17:54:02.000Z","name":"Alcohol O-acetyltransferase 2","uniprot_id":"P53296","uniprot_name":"ATF2_YEAST","enzyme":true,"transporter":false,"gene_name":"ATF2","num_residues":535,"molecular_weight":"61897.5","theoretical_pi":"5.73","general_function":"Involved in alcohol O-acetyltransferase activity","specific_function":"Acetyl-CoA + an alcohol = CoA + an acetyl ester","reactions":[{"id":1286,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1287,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1288,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1289,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1290,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2396,"direction":"\u003e","locations":"Membrane;Cytoplasmic; Peripheral membrane protein","altext":"Acetyl-CoA + an alcohol = CoA + an acetyl ester.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Membrane; Peripheral membrane protein","genbank_gene_id":"Z72961","genbank_protein_id":"1323313","gene_card_id":"ATF2","chromosome_location":"chromosome 7","locus":"YGR177C","synonyms":["AATase 2"],"enzyme_classes":["2.3.1.84"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring acyl groups"},{"category":"Function","description":" transferase activity, transferring acyl groups other than amino-acyl groups"},{"category":"Function","description":" acyltransferase activity"},{"category":"Function","description":" O-acyltransferase activity"},{"category":"Function","description":" O-acetyltransferase activity"},{"category":"Function","description":" alcohol O-acetyltransferase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" small molecule metabolic process"},{"category":"Process","description":" alcohol metabolic process"}],"pfams":[{"name":"AATase","identifier":"PF07247"}],"pathways":[],"gene_sequence":"ATGGAAGATATAGAAGGATACGAACCACATATCACTCAAGAGTTGATAGACCGTGGCCATGCAAGACGTATGGGCCACTTGGAAAACTACTTTGCTGTTTTGAGTAGGCAGAAAATGTACTCGAATTTTACTGTTTACGCGGAATTGAATAAAGGTGTTAATAAGAGACAACTAATGCTTGTCTTGAAAGTATTACTTCAAAAATACTCAACTCTTGCGCATACAATCATTCCTAAGCATTATCCTCATCATGAAGCGTACTACTCTAGCGAAGAGTACCTTAGTAAACCTTTTCCACAGCATGATTTCATAAAGGTGATTTCTCATCTTGAATTCGATGACTTGATTATGAATAATCAACCAGAATACAGAGAAGTCATGGAGAAAATCTCAGAACAGTTCAAAAAGGATGATTTCAAAGTCACCAATAGGTTAATCGAATTGATTAGCCCTGTAATCATACCTCTGGGTAATCCGAAGAGGCCTAATTGGAGATTGATTTGTTTACCAGGTAAGGATACTGATGGGTTTGAAACGTGGAAAAACTTCGTTTATGTCACTAACCACTGCGGCTCCGACGGTGTCAGTGGATCGAATTTTTTCAAAGATTTAGCTCTACTCTTTTGTAAAATCGAAGAAAAAGGGTTTGATTATGATGAAGAGTTCATCGAAGATCAAGTCATCATTGACTATGATCGAGACTACACTGAAATTTCTAAATTGCCAAAACCGATTACGGATCGTATTGACTACAAGCCAGCATTGACTTCATTACCCAAATTCTTTTTAACAACCTTCATTTATGAACATTGTAATTTTAAAACCTCCAGCGAATCTACACTTACAGCTAGATATAGCCCCTCTAGTAATGCTAATGCTAGTTACAATTACTTGTTGCATTTCAGTACTAAGCAAGTAGAACAAATCAGAGCTCAGATCAAGAAAAATGTTCACGATGGGTGCACCCTAACACCCTTCATTCAAGCGTGCTTTCTTGTAGCCCTGTATAGACTGGATAAGCTGTTCACAAAATCTCTTCTCGAGTATGGGTTCGATGTGGCTATTCCAAGCAACGCAAGAAGGTTTTTACCAAACGATGAAGAGTTAAGAGATTCTTATAAATACGGCTCCAACGTTGGAGGTTCGCATTACGCCTATCTAATCTCCTCATTCGACATTCCCGAAGGTGACAATGACAAGTTTTGGAGTCTTGTCGAATACTACTATGACCGCTTTTTAGAATCGTACGACAACGGTGACCACTTGATTGGTCTGGGGGTCCTACAACTTGATTTTATCGTTGAAAACAAGAATATAGACAGCCTTCTTGCCAACTCTTATTTGCACCAGCAAAGAGGCGGTGCAATCATCAGTAATACAGGACTTGTCTCGCAAGATACGACCAAGCCGTACTACGTTCGGGATTTAATCTTCTCGCAGTCTGCAGGCGCCTTGAGATTTGCGTTCGGCCTAAACGTTTGCTCCACAAACGTGAATGGTATGAACATGGACATGAGCGTGGTTCAGGGCACTCTACGGGATCGTGGCGAATGGGAATCGTTCTGCAAGCTCTTCTACCAAACCATCGGCGAATTTGCGTCGCTTTAA","protein_sequence":"MEDIEGYEPHITQELIDRGHARRMGHLENYFAVLSRQKMYSNFTVYAELNKGVNKRQLMLVLKVLLQKYSTLAHTIIPKHYPHHEAYYSSEEYLSKPFPQHDFIKVISHLEFDDLIMNNQPEYREVMEKISEQFKKDDFKVTNRLIELISPVIIPLGNPKRPNWRLICLPGKDTDGFETWKNFVYVTNHCGSDGVSGSNFFKDLALLFCKIEEKGFDYDEEFIEDQVIIDYDRDYTEISKLPKPITDRIDYKPALTSLPKFFLTTFIYEHCNFKTSSESTLTARYSPSSNANASYNYLLHFSTKQVEQIRAQIKKNVHDGCTLTPFIQACFLVALYRLDKLFTKSLLEYGFDVAIPSNARRFLPNDEELRDSYKYGSNVGGSHYAYLISSFDIPEGDNDKFWSLVEYYYDRFLESYDNGDHLIGLGVLQLDFIVENKNIDSLLANSYLHQQRGGAIISNTGLVSQDTTKPYYVRDLIFSQSAGALRFAFGLNVCSTNVNGMNMDMSVVQGTLRDRGEWESFCKLFYQTIGEFASL"},{"created_at":"2011-05-27T08:07:56.000Z","updated_at":"2011-07-22T17:54:41.000Z","name":"Isoamyl acetate-hydrolyzing esterase","uniprot_id":"P41734","uniprot_name":"IAH1_YEAST","enzyme":true,"transporter":false,"gene_name":"IAH1","num_residues":238,"molecular_weight":"27346.0","theoretical_pi":"5.4","general_function":"Involved in hydrolase activity","specific_function":"Plays a crucial role in the hydrolysis of isoamyl acetate in sake mash","reactions":[{"id":1480,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1673,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1674,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"AY557754","genbank_protein_id":"45269399","gene_card_id":"IAH1","chromosome_location":"chromosome 15","locus":"YOR126C","synonyms":[],"enzyme_classes":["3.1.-.-"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" primary metabolic process"},{"category":"Process","description":" lipid metabolic process"}],"pfams":[{"name":"Lipase_GDSL","identifier":"PF00657"}],"pathways":[],"gene_sequence":"ATGGATTACGAGAAGTTTCTGTTATTTGGGGATTCCATTACTGAATTTGCTTTTAATACTAGGCCCATTGAAGATGGCAAAGATCAGTATGCTCTTGGAGCCGCATTAGTCAACGAATATACGAGAAAAATGGATATTCTTCAAAGAGGGTTCAAAGGGTACACTTCTAGATGGGCGTTGAAAATACTTCCTGAGATTTTAAAGCATGAATCCAATATTGTCATGGCCACAATATTTTTGGGTGCCAACGATGCATGCTCAGCAGGTCCCCAAAGTGTCCCCCTCCCCGAATTTATCGATAATATTCGTCAAATGGTATCTTTGATGAAGTCTTACCATATCCGTCCTATTATAATAGGACCGGGGCTAGTAGATAGAGAGAAGTGGGAAAAAGAAAAATCTGAAGAAATAGCTCTCGGATACTTCCGTACCAACGAGAACTTTGCCATTTATTCCGATGCCTTAGCAAAACTAGCCAATGAGGAAAAAGTTCCCTTCGTGGCTTTGAATAAGGCGTTTCAACAGGAAGGTGGTGATGCTTGGCAACAACTGCTAACAGATGGACTGCACTTTTCCGGAAAAGGGTACAAAATTTTTCATGACGAATTATTGAAGGTCATTGAGACATTCTACCCCCAATATCATCCCAAAAACATGCAGTACAAACTGAAAGATTGGAGAGATGTGCTAGATGATGGATCTAACATAATGTCTTGA","protein_sequence":"MDYEKFLLFGDSITEFAFNTRPIEDGKDQYALGAALVNEYTRKMDILQRGFKGYTSRWALKILPEILKHESNIVMATIFLGANDACSAGPQSVPLPEFIDNIRQMVSLMKSYHIRPIIIGPGLVDREKWEKEKSEEIALGYFRTNENFAIYSDALAKLANEEKVPFVALNKAFQQEGGDAWQQLLTDGLHFSGKGYKIFHDELLKVIETFYPQYHPKNMQYKLKDWRDVLDDGSNIMS"}]}