{"ymdb_id":"YMDB01475","created_at":"2011-07-25T20:42:25.000Z","updated_at":"2016-09-08T18:36:43.000Z","name":"1-Heptanol","cas":"111-70-6","state":"Liquid","melting_point":"-34 oC","description":"1-Heptanol is extracted from yeast and produced during fermentation of alcoholic beverages. This alcohol tends to increase in content during wine aging.","experimental_water_solubility":"1.67 mg/mL at 25 oC [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":"2.62 [SANGSTER (1994)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8129","cs_id":"7837","foodb_id":null,"wikipedia_link":"1-Heptanol","biocyc_id":null,"iupac":"heptan-1-ol","traditional_iupac":"heptanol","logp":"2.139027941","pka":null,"alogps_solubility":"2.32e+00 g/l","alogps_logp":"2.53","alogps_logs":"-1.70","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"20.23","refractivity":"35.9379","polarizability":"15.334048406473139","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.9922594095946238","pka_strongest_acidic":"16.843942822143063","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-HeptanoI","1-Heptyl alcohol","1-Hydroxyheptane","Alcohol C7","Enanthic alcohol","Enanthyl alcohol","Gentanol","Heptan-1-ol","Heptane-1-ol","Heptanol-1","Heptyl alcohol","Heptyl alcohol, n-","n-C7H15OH","n-Heptan-1-ol","n-Heptanol","n-Heptanol-1","n-Heptyl 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":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"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; 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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"},{"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":"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"}]}