{"ymdb_id":"YMDB00136","created_at":"2011-05-29T16:00:19.000Z","updated_at":"2016-09-08T18:35:04.000Z","name":"benzil","cas":"134-81-6","state":"Solid","melting_point":"94.8 oC","description":"Benzil (1,2-diphenylethane-1,2-dione) is one of the most common diketones. It is used as a photoinitiator in polymer chemistry.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"3.38 [HANSCH,C ET AL. (1995)]","location":"Cytoplasm, Plasma Membrane","synthesis_reference":null,"chebi_id":"51507","hmdb_id":null,"kegg_id":"C14574","pubchem_id":"8651","cs_id":"8329","foodb_id":null,"wikipedia_link":"Benzil","biocyc_id":null,"iupac":"diphenylethane-1,2-dione","traditional_iupac":"benzil","logp":"3.244726528666667","pka":null,"alogps_solubility":"3.39e-02 g/l","alogps_logp":"2.96","alogps_logs":"-3.79","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"34.14","refractivity":"62.072800000000015","polarizability":"22.38074607757406","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-8.553820023452328","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1, 2-Diphenylethane-1,2-dione","1,2-Diphenylethane-1,2-dione","1,2-Diphenylethanedione","Benzil (1,2-diphenylethan-dion)","Benzilone bomide","Benzilonium bromide","Bibenzoyl","Chlorobenzilate","Dibenzoyl","Diphenyl-\u0026alpha;","Diphenyl-alpha,beta-diketone","Diphenylethanedione","Diphenylglyoxal","Ethanedione, diphenyl-","Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate","Ethyl-4,4'-dichlorobenzilate","Glyoxal, diphenyl-"],"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."},{"pubmed_id":11745140,"citation":"Maruyama, R., Nishizawa, M., Itoi, Y., Ito, S., Inoue, M. (2001). \"Isolation and expression of a Bacillus cereus gene encoding benzil reductase.\" Biotechnol Bioeng 75:630-633."}],"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"}]}