{"ymdb_id":"YMDB00316","created_at":"2011-05-29T18:05:30.000Z","updated_at":"2016-09-08T18:35:20.000Z","name":"4-Nitrophenol","cas":"100-02-7","state":"Solid","melting_point":"113.8 oC","description":"4-Nitrophenol (also called p-nitrophenol or 4-hydroxynitrobenzene) is a phenolic compound that has a nitro group at the opposite position of hydroxy group on the benzene ring. 4-Nitrophenol is a product of the enzymatic cleavage of several substrates. [Wikipedia]","experimental_water_solubility":"11.6 mg/mL at 20 oC [SCHWARZENBACH,RP et al. (1988)]","experimental_logp_hydrophobicity":"1.91 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":"Fache, Eric; Righini, Sebastien.  Preparation of a nitrophenol.    Fr. Demande  (2004),     35 pp. ","chebi_id":"16836","hmdb_id":"HMDB01232","kegg_id":"C00870","pubchem_id":"980","cs_id":"955","foodb_id":null,"wikipedia_link":"4-Nitrophenol","biocyc_id":"P-NITROPHENOL","iupac":"4-nitrophenol","traditional_iupac":"P-nitrophenol","logp":"1.6096646836666664","pka":null,"alogps_solubility":"3.60e+00 g/l","alogps_logp":"1.93","alogps_logs":"-1.59","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"63.37","refractivity":"34.3594","polarizability":"12.22225146272029","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.134669899557051","pka_strongest_acidic":"7.0749669885710444","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-Hydroxy-4-nitrobenzene","4-Hydroxynitrobenzene","4-Nitrophenol","Mononitrophenol","Niphen","p-Hydroxynitrobenzene","p-Nitrophenol","Paranitrophenol"],"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":"2011-05-27T05:32:36.000Z","updated_at":"2011-05-27T15:01:24.000Z","name":"4-nitrophenylphosphatase","uniprot_id":"P19881","uniprot_name":"PNPP_YEAST","enzyme":true,"transporter":false,"gene_name":"PHO13","num_residues":312,"molecular_weight":"34624.30078","theoretical_pi":"6.29","general_function":"Involved in catalytic activity","specific_function":"PHO13 is dispensable for vegetative growth and sporulation","reactions":[{"id":2776,"direction":"\u003e","locations":"Cytoplasmic","altext":"4-nitrophenyl phosphate + H(2)O = 4-nitrophenol + phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"X51611","genbank_protein_id":"5924022","gene_card_id":"PHO13","chromosome_location":"chromosome 4","locus":"YDL236W","synonyms":["PNPPase"],"enzyme_classes":["3.1.3.41"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Function","description":" phosphoric ester hydrolase activity"},{"category":"Function","description":" phosphatase activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Hydrolase","identifier":"PF00702"}],"pathways":[],"gene_sequence":"ATGACTGCTCAACAAGGTGTACCAATAAAGATAACCAATAAGGAGATTGCTCAAGAATTCTTGGACAAATATGACACGTTTCTGTTCGATTGTGATGGTGTATTATGGTTAGGTTCTCAAGCATTACCATACACCCTGGAAATTCTAGACCTTTTGAAGCAATTGGGCAAACAACTGATCTTCGTTACGAATAACTCTACCAAGTCCCGTTTAGCATACACGAAAAAGTTTGCTTCGTTTGGTATTGATGTCAAAGAAGAACAGATTTTCACCTCTGGTTATGCGCCAGCTGTTTATATTCGTGACTTTCTGAAATTGCAGCCTGGCAAAGATAAGGTATGGGTATTTGGAGAAAGCGGTATTGGTGAAGAATTGAAACTAATGGGGTACGAATCTCTAGGAGGTGCCGATTCCAGATTGGATACGCCGTTCGATGCAGCTAAATCACCATTTTTGGTGAACGGCCTTGATAAGGATGTTAGTTGTGTTATTGCTGGGTTAGACACGAAGGTAAATTACCACCGTTTGGCTGTTACACTGCAGTATTTGCAGAAGGATTCTGTTCACTTTGTTGGTACAAATGTTGATTCTACTTTCCCGCAAAAGGGTTATACATTTCCCGGTGCAGGCTCCATGATTGAATCATTGGCATTCTCATCTAATAGGAGGCCATCGTACTGTGGTAAGCCAAATCAAAATATGCTAAACAGCATTATATCGGCATTCAACCTGGATAGATCAAAGTGCTGTATGGTTGGTGACAGATTAAACACCGATATGAAATTCGGTGTTGAAGGTGGGTTAGGTGGCACACTACTCGTTTTGAGTGGTATTGAAACCGAAGAGAGAACCTTGAAGATTTCGCACGATTATCCAAGACCTAAATTTTACATTGATAAACTTGGTGACATCTACGCCTTAACCAATAATGAGTTATAG","protein_sequence":"MTAQQGVPIKITNKEIAQEFLDKYDTFLFDCDGVLWLGSQALPYTLEILNLLKQLGKQLIFVTNNSTKSRLAYTKKFASFGIDVKEEQIFTSGYASAVYIRDFLKLQPGKDKVWVFGESGIGEELKLMGYESLGGADSRLDTPFDAAKSPFLVNGLDKDVSCVIAGLDTKVNYHRLAVTLQYLQKDSVHFVGTNVDSTFPQKGYTFPGAGSMIESLAFSSNRRPSYCGKPNQNMLNSIISAFNLDRSKCCMVGDRLNTDMKFGVEGGLGGTLLVLSGIETEERALKISHDYPRPKFYIDKLGDIYTLTNNEL"}]}