{"ymdb_id":"YMDB01470","created_at":"2011-07-25T20:41:48.000Z","updated_at":"2016-09-08T18:36:43.000Z","name":"1-Pentanol","cas":"71-41-0","state":"Liquid","melting_point":"-78.9 oC","description":"1-Pentanol is an alcohol extracted from yeast and produced during fermentation of alcoholic beverages. It is a colorless liquid with an unpleasant aroma.","experimental_water_solubility":"22 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.51 [SANGSTER (1994)]","location":"extracellular","synthesis_reference":null,"chebi_id":"44884","hmdb_id":"HMDB13036","kegg_id":"C16834","pubchem_id":"6276","cs_id":"6040","foodb_id":null,"wikipedia_link":"1-Pentanol","biocyc_id":"CPD-7032","iupac":"pentan-1-ol","traditional_iupac":"amyl alcohol","logp":"1.249890611","pka":null,"alogps_solubility":"3.72e+01 g/l","alogps_logp":"1.47","alogps_logs":"-0.37","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"20.23","refractivity":"26.7359","polarizability":"11.22710254232554","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.9922568276899284","pka_strongest_acidic":"16.84394872498873","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-pentanol","1-Pentol","1-Pentyl alcohol","2-Methyl-1-butanol","2-Pentanol","Alcool amylique","Amyl alcohol","Amyl alcohol, n-","Amylalkohol","Amylol","Butyl carbinol","Butylcarbinol","C5 alcohol","n-Amyl alcohol","N-amylalkohol","N-butylcarbinol","n-Pentan-1-ol","N-pentanol","N-pentyl alcohol","N-pentyl-alcohol","Pentan-1-ol","Pentanol","Pentanol-1","Pentasol","Pentyl alcohol","Pentyl-alcohol","Pentylalkohol","Petan-1-ol","Primary amyl alcohol","Primary-n-amyl alcohol"],"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":" 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":"Function","description":" transferase activity, transferring acyl groups"},{"category":"Function","description":" transferase activity, transferring acyl groups other than amino-acyl groups"},{"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":" 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":"Function","description":" transferase activity, transferring acyl groups"},{"category":"Function","description":" transferase activity, transferring acyl groups other than amino-acyl groups"},{"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"}]}