{"ymdb_id":"YMDB00336","created_at":"2011-05-29T18:07:22.000Z","updated_at":"2016-09-08T18:35:21.000Z","name":"benzoin","cas":"119-53-9","state":"Solid","melting_point":"137 oC","description":"Benzoin is a chiral compound with a light camphor-like odor. It is synthesized from 2-benzaldehyde by a benzaldehyde lyase.","experimental_water_solubility":"0.3 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"17682","hmdb_id":null,"kegg_id":"C01408","pubchem_id":"8400","cs_id":"8093","foodb_id":null,"wikipedia_link":"Benzoin","biocyc_id":null,"iupac":"2-hydroxy-1,2-diphenylethan-1-one","traditional_iupac":"(+-)-benzoin","logp":"2.650074693666667","pka":null,"alogps_solubility":"5.61e-01 g/l","alogps_logp":"2.64","alogps_logs":"-2.58","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"37.3","refractivity":"62.52090000000002","polarizability":"22.445830253977434","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.8407029979448213","pka_strongest_acidic":"12.617625340174715","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["\u0026alpha;-Hydroxy-\u0026alpha;-phenylacetophenone","2-Hydroxy-1, 2-diphenylethanone","2-Hydroxy-1,2-diphenylethan-1-on","2-Hydroxy-1,2-diphenylethanone","2-Hydroxy-2-phenylacetophenone","Acetophenone, 2-hydroxy-2-phenyl-","alpha-Hydroxy-alpha-phenylacetophenone","alpha-Hydroxybenzyl phenyl ketone","Benzoin","Benzoin tincture","Benzoylphenylcarbinol","Bitter almond oil camphor","Ethanone, 2-hydroxy-1,2-diphenyl-","Fenyl-alpha-hydroxybenzylketon","Hydroxy-2-phenyl acetophenone","Persian balsam","Phenyl-alpha-hydroxybenzyl ketone"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."}],"proteins":[{"created_at":"2011-05-27T02:23:31.000Z","updated_at":"2011-05-27T15:01:17.000Z","name":"Benzil reductase IRC24","uniprot_id":"P40580","uniprot_name":"BZRD_YEAST","enzyme":true,"transporter":false,"gene_name":"IRC24","num_residues":263,"molecular_weight":"28803.90039","theoretical_pi":"6.28","general_function":"Involved in oxidoreductase activity","specific_function":"Reduces benzil stereospecifically to (S)-benzoin. Is probably involved in a pathway contributing to genomic integrity","reactions":[{"id":2674,"direction":"\u003e","locations":null,"altext":"Benzoin + NADP(+) = benzil + NADPH.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AB052924","genbank_protein_id":"19386576","gene_card_id":"IRC24","chromosome_location":"chromosome 9","locus":"YIR036C","synonyms":["Increased recombination centers protein 24"],"enzyme_classes":[],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"adh_short","identifier":"PF00106"}],"pathways":[],"gene_sequence":"ATGGGCAAGGTTATTTTGATTACAGGTGCCTCCCGTGGGATTGGCCTGCAATTGGTGAAAACTGTTATCGAAGAGGACGATGAATGCATCGTCTACGGCGTAGCAAGAACGGAAGCTGGTCTGCAGTCTTTGCAAAGAGAATACGGTGCAGACAAATTTGTCTATCGTGTCCTCGACATCACGGACAGGTCTCGAATGGAAGCGTTGGTGGAGGAAATCCGGCAAAAGCATGGAAAACTGGACGGTATTGTCGCAAATGCGGGGATGCTAGAACCGGTGAAGTCCATCTCCCAGTCCAACTCCGAACACGACATCAAGCAGTGGGAACGGCTGTTCGATGTGAACTTTTTCAGCATTGTCTCTTTGGTGGCACTGTGTTTACCCCTCTTGAAGAGCTCGCCATTTGTAGGCAACATTGTCTTCGTCAGCTCTGGAGCCAGTGTGAAACCATATAACGGATGGTCGGCGTACGGCTGCTCGAAAGCCGCATTAAACCACTTTGCCATGGACATTGCCAGTGAAGAGCCCAGTGATAAAGTGCGTGCCGTGTGTATTGCACCGGGCGTCGTTGACACGCAGATGCAGAAAGATATTAGGGAAACATTGGGTCCTCAGGGCATGACACCCAAGGCTCTCGAGAGGTTTACTCAATTGTACAAGACTTCGTCACTGCTGGACCCAAAGGTGCCTGCGGCGGTACTAGCGCAACTCGTCCTGAAAGGTATTCCCGACTCTTTGAACGGTCAATATCTCCGCTACAACGATGAGCGACTGGGGCCGGTGCAGGGCTAG","protein_sequence":"MGKVILITGASRGIGLQLVKTVIEEDDECIVYGVARTEAGLQSLQREYGADKFVYRVLDITDRSRMEALVEEIRQKHGKLDGIVANAGMLEPVKSISQSNSEHDIKQWERLFDVNFFSIVSLVALCLPLLKSSPFVGNIVFVSSGASVKPYNGWSAYGCSKAALNHFAMDIASEEPSDKVRAVCIAPGVVDTQMQKDIRETLGPQGMTPKALERFTQLYKTSSLLDPKVPAAVLAQLVLKGIPDSLNGQYLRYNDERLGPVQG"}]}