{"ymdb_id":"YMDB00135","created_at":"2011-05-29T16:00:15.000Z","updated_at":"2016-09-08T18:35:04.000Z","name":"Nitrite","cas":"14797-65-0","state":"Solid","melting_point":null,"description":"A nitrite (NO2-) is a salt of nitrous acid (HNO2). The anion is symmetric with equal N-O bond lengths and a O-N-O bond angle of ca. 120°. On protonation the unstable weak acid nitrous acid is produced. Nitrite can be oxidised or reduced, with product somewhat dependent on the oxidizing/reducing agent. The nitrite ion is an ambidentate ligand and is known to bond to metal centres in at least five different ways.[1] Nitrite is important in biochemistry as a source of the vasodilator nitric oxide. [Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":"Nakata, Sumio; Eiki, Toshio; Tanaka, Norihiro; Koyama, Tadashi; Tsukui, Hiroto; Watanabe, Shizuo.  Production of nitrite ions from trinitrophenyl myosin and from trinitrophenyl subfragment-1.    Journal of Biochemistry (Tokyo, Japan)  (1986),  99(1),  27-","chebi_id":"16301","hmdb_id":"HMDB02786","kegg_id":"C00088","pubchem_id":"946","cs_id":"921","foodb_id":null,"wikipedia_link":"Nitrite","biocyc_id":"NITRITE","iupac":"nitrous acid","traditional_iupac":"nitrous acid","logp":"0.166137638","pka":null,"alogps_solubility":null,"alogps_logp":null,"alogps_logs":null,"acceptor_count":"3","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"49.660000000000004","refractivity":"8.7217","polarizability":"2.8096222239433186","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.46791021358391","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["Nitrite","Nitrite anion","Nitrite ion","Nitrogen dioxide","Nitrogen dioxide ion","Nitrogen peroxide ion"],"pathways":[{"name":"Nitrogen metabolism","kegg_map_id":"00910"}],"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":"2011-05-24T20:24:50.000Z","updated_at":"2011-05-24T20:24:50.000Z","name":"Putative nitronate monooxygenase","uniprot_id":"P47177","uniprot_name":"2NDP_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":404,"molecular_weight":"45142.60156","theoretical_pi":"8.65","general_function":"Involved in nitronate monooxygenase activity","specific_function":"Catalyzes the oxidation of alkyl nitronates to produce the corresponding carbonyl compounds and nitrites","reactions":[{"id":2316,"direction":"\u003e","locations":null,"altext":"Ethylnitronate + O(2) + FMNH(2) = acetaldehyde + nitrite + FMN + H(2)O.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z49649","genbank_protein_id":"1015899","gene_card_id":null,"chromosome_location":null,"locus":"YJR149W","synonyms":["Nitroalkane oxidase"],"enzyme_classes":["1.13.12.16"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" monooxygenase activity"},{"category":"Function","description":" oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of one atom of oxygen (internal monooxygenases or internal mixed function oxidases)"},{"category":"Function","description":" nitronate monooxygenase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"NPD","identifier":"PF03060"}],"pathways":[{"name":"Nitrogen metabolism","kegg_map_id":"00910"}],"gene_sequence":"ATGTACTTTTTAAACCAACTAATATTTCAAGACGTTTCCGTAATGTCGGTGGATAAAAGAGAAGATATGAGCAGATCTTTCCAAAAATGTTTAAACTTGAGATACCCTATCATCCAGGCCCCTATGGCGGGGGTCACGACTATTGAAATGGCCGCTAAGGCTTGTATTGCGGGCGCCATAGCTTCACTACCCCTATCCCACTTAGACTTCAGAAAGGTCAATGATATTGAAAAGCTTAAACTGATGGTTTCACAATTCAGAGATCAAGTAGCCGATGAATCTTTAGAGGGCAATCTCAACCTAAACTTTTTTTGCCATGATATCGTTGATAAACCGACCGATCTTCAAACAGCTAACTGGGCGAAGCTATACAGAAAGTCTATGAATGTGCCGATTGATATGAATGAGATTAAATTCGATAATGGTAATGTATCTTTTAAGGCATTTGAAAAAGAAAATGCTCTTCAAGATTTTTTCCAGTACCTATCAGATGGCTTTAGGCCTAAAATCATTAGTTTCCATTTTGGCCATCCGTCGAAATCTACAATAGAATATTTACAAAAAATTGGAATTCTAATTTTTGTGACTGCCACCTCTGTAAGAGAAGTTCGATTGTTAGCACGTCTCGGCATTAATGGCATAGTGTGTCAAGGCTATGAAGCGGGAGGACATAGAGGAAATTTCTTAGTAAATGACCCCAAAGATGATGAAAACTTATCAACTGTACAATTGGTGAAAAGAACAGTTGATGAACTTGCTGAAATGAAAAATAAAGGTCTTATACATGCTACTCCCTTTGTCATTGCAGCAGGTGGTATAATGGATTCCAAAGATATATCATACATGTTATCACAGCAAGCAGACGCTGTTCAAGTGGGGACTGCTTTTCTTGGTTGCAGTGAATCCAATGCATCAAAAAACTTTTCAAGCCCCTTCACTCGAGAAACAACAACTAAAATGGTTAATATAATATCAGGAAAGCCTGCAAGGACCATCTCTACTCCTTTTATCGAAAAAGTCATTGCTAATTTTCAAGGTGAGGAGCTTCCTCCATATGGCTACATGTATAGTGCTTTCAAGCAAGTAAGAAAAAAGTATCCAGAATTGGCTAACTTTATTTTAGCTGGACAAGGATTTCAGAATGTCCAATCAGGAATCACAACAGACAAGAAAATTGAAACTATGGGCGCAAGATTGAAAATTGTCGGAAAATAA","protein_sequence":"MYFLNQLIFQDVSVMSVDKREDMSRSFQKCLNLRYPIIQAPMAGVTTIEMAAKACIAGAIASLPLSHLDFRKVNDIEKLKLMVSQFRDQVADESLEGNLNLNFFCHDIVDKPTDLQTANWAKLYRKSMNVPIDMNEIKFDNGNVSFKAFEKENALQDFFQYLSDGFRPKIISFHFGHPSKSTIEYLQKIGILIFVTATSVREVRLLARLGINGIVCQGYEAGGHRGNFLVNDPKDDENLSTVQLVKRTVDELAEMKNKGLIHATPFVIAAGGIMDSKDISYMLSQQADAVQVGTAFLGCSESNASKNFSSPFTRETTTKMVNIISGKPARTISTPFIEKVIANFQGEELPPYGYMYSAFKQVRKKYPELANFILAGQGFQNVQSGITTDKKIETMGARLKIVGK"}]}