{"ymdb_id":"YMDB01471","created_at":"2011-07-25T20:41:56.000Z","updated_at":"2016-09-08T18:36:43.000Z","name":"Pentyl acetate","cas":"620-02-0","state":"Liquid","melting_point":"-70.8 oC","description":"Pentyl acetate (amyl acetate) is a volatile aroma ester extracted from yeast and produced during fermentation of alcoholic beverages. It has a scent similar to bananas and apples which is not detectable by all people. It is also responsible for almond aromas.","experimental_water_solubility":"1.7 mg/mL at 20 oC [RIDDICK,JA et al. (1986)]","experimental_logp_hydrophobicity":"2.30 [ABRAHAM,MH ET AL. (1994)]","location":"extracellular","synthesis_reference":null,"chebi_id":"27594","hmdb_id":null,"kegg_id":null,"pubchem_id":"12348","cs_id":"11843","foodb_id":null,"wikipedia_link":"Amyl_acetate","biocyc_id":null,"iupac":"pentyl acetate","traditional_iupac":"amyl acetate","logp":"1.6910160213333332","pka":null,"alogps_solubility":"1.73e+00 g/l","alogps_logp":"2.46","alogps_logs":"-1.88","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"35.8874","polarizability":"15.496642448587323","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.993812174629618","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-Acetoxypentane","1-Pentanol acetate","1-Pentyl acetate","ACETATE ION","Acetic acid n-amyl ester","Acetic acid, amyl ester","acetic acid, ion(1-)","Acetic acid, n-pentyl ester","Acetic acid, pentyl ester","Amyl acetate","Amyl acetic ester","Amyl acetic ether","Banana oil","Birnenoel","Ethanoat","ethanoate","MeCO2 anion","n-Amyl acetate","n-Pentyl acetate","n-Pentyl ethanoate","Octan amylu","Pear oil","Pent-acetate","Pentyl ester of acetic acid","Primary amyl acetate"],"pathways":[],"growth_conditions":[],"references":[{"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."},{"pubmed_id":10552428,"citation":"Antonelli, A., Castellari, L., Zambonelli, C., Carnacini, A. (1999). \"Yeast influence on volatile composition of wines.\" J Agric Food Chem 47:1139-1144."}],"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 protein","genbank_gene_id":"D26554","genbank_protein_id":"531272","gene_card_id":"ATF1","chromosome_location":"chromosome 15","locus":"YOR377W","synonyms":["AATase 1"],"enzyme_classes":["2.3.1.84"],"go_classes":[{"category":"Component","description":" Not Available"},{"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":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase 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":"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":" 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":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase 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"}]}