{"ymdb_id":"YMDB00391","created_at":"2011-05-29T18:12:11.000Z","updated_at":"2016-09-08T18:35:26.000Z","name":"Thiocyanate","cas":"302-04-5","state":"Solid","melting_point":null,"description":"Thiocyanate is analogous to the cyanate ion [OCN]-, wherein oxygen is replaced by sulfur. Cyanide is catalyzed by the enzyme sulfotransferase known as rhodanase to thiosyanate and may be relevant to detoxification of cyanide. [Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":"Lang, Konrad.  Thiocyanate formation in the animal body. II.    Biochemische Zeitschrift  (1933),  263  262-7.","chebi_id":"18022","hmdb_id":"HMDB01453","kegg_id":"C01755","pubchem_id":"781","cs_id":"8961","foodb_id":null,"wikipedia_link":"Thiocyanate","biocyc_id":"HSCN","iupac":"cyanosulfanide","traditional_iupac":"thiocyanate","logp":"0.5057528946666666","pka":null,"alogps_solubility":"4.15e+01 g/l","alogps_logp":"0.22","alogps_logs":"-0.26","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"23.79","refractivity":"16.089399999999998","polarizability":"4.748552853899978","formal_charge":"-1","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"0.49709613151900633","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["Ammonium rhodanate","Ammonium rhodanide","Ammonium sulfocyanate","HSCN","Hydrogen thiocyanate","Nitridosulfanidocarbon","Rhodanid","Rhodanide","SCN","Silver thiocyanate agscn","Thallium thiocyanate","Thiocyanate ion","Thiocyanic acid","Thiocyanid","Weedazol TL"],"pathways":[{"name":"Sulfur metabolism","kegg_map_id":"00920"}],"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":"2011-05-26T17:18:06.000Z","updated_at":"2011-05-26T17:18:06.000Z","name":"Putative thiosulfate sulfurtransferase","uniprot_id":"Q08686","uniprot_name":"THTR_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":304,"molecular_weight":"34218.60156","theoretical_pi":"5.93","general_function":"Involved in thiosulfate sulfurtransferase activity","specific_function":"Thiosulfate + cyanide = sulfite + thiocyanate","reactions":[{"id":2471,"direction":"\u003e","locations":"Mitochondrion. Cytoplasm;Mitochondrion","altext":"Thiosulfate + cyanide = sulfite + thiocyanate.","export":false,"pw_reaction_id":null,"source":null},{"id":14422,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006935","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion. Cytoplasm","genbank_gene_id":"AY692732","genbank_protein_id":"51012915","gene_card_id":null,"chromosome_location":null,"locus":"YOR251C","synonyms":[],"enzyme_classes":["2.8.1.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring sulfur-containing groups"},{"category":"Function","description":" sulfurtransferase activity"},{"category":"Function","description":" thiosulfate sulfurtransferase activity"},{"category":"Process","description":" establishment of localization"},{"category":"Process","description":" transport"},{"category":"Process","description":" ion transport"},{"category":"Process","description":" anion transport"},{"category":"Process","description":" inorganic anion transport"},{"category":"Process","description":" sulfate transport"}],"pfams":[{"name":"Rhodanese","identifier":"PF00581"}],"pathways":[{"name":"Sulfur metabolism","kegg_map_id":"00920"}],"gene_sequence":"ATGCCATTATTTGATCTTATTTCTCCAAAAGCGTTTGTTAAGTTAGTGGCCAGTGAGAAGGTTCATAGAATCGTTCCAGTTGATGCAACATGGTACCTACCCAGTTGGAAGCTTGATAATAAAGTGGATTTCTTGACCAAACCACGTATACCAAACTCCATTTTCTTTGATATTGATGCAATCAGTGACAAAAAATCGCCCTATCCACATATGTTCCCTACAAAGAAGGTTTTTGACGACGCTATGAGTAATTTAGGAGTTCAAAAAGATGATATATTAGTGGTTTACGATCGTGTTGGTAACTTTAGCTCCCCTAGATGTGCTTGGACATTAGGAGTGATGGGACATCCTAAGGTGTACTTACTAAATAATTTCAACCAGTACAGAGAGTTTAAGTACCCTCTAGATTCCTCTAAGGTGGCAGCGTTTTCACCCTATCCAAAGAGTCATTATGAGTCCTCAGAAAGTTTCCAAGACAAGGAGATTGTAGACTATGAGGAAATGTTCCAATTGGTAAAGAGTGGGGAACTGGCTAAGAAATTCAATGCTTTCGATGCAAGGTCGCTCGGTAGATTCGAAGGTACAGAACCAGAGCCTCGTTCCGACATTCCATCGGGGCATATTCCAGGTACCCAACCATTACCATATGGAAGTTTACTTGATCCGGAGACCAAAACGTACCCAGAAGCTGGGGAGGCGATACACGCTACTTTGGAAAAGGCATTGAAAGACTTTCATTGCACTTTGGACCCAAGTAAACCAACTATTTGCTCTTGTGGAACTGGCGTTTCAGGAGTCATTATCAAGACAGCATTGGAGCTAGCAGGAGTTCCCAATGTTAGATTATATGATGGATCCTGGACCGAGTGGGTCTTGAAATCCGGGCCCGAGTGGATTGCTGAAAACAGAGATTAA","protein_sequence":"MPLFDLISPKAFVKLVASEKVHRIVPVDATWYLPSWKLDNKVDFLTKPRIPNSIFFDIDAISDKKSPYPHMFPTKKVFDDAMSNLGVQKDDILVVYDRVGNFSSPRCAWTLGVMGHPKVYLLNNFNQYREFKYPLDSSKVAAFSPYPKSHYESSESFQDKEIVDYEEMFQLVKSGELAKKFNAFDARSLGRFEGTEPEPRSDIPSGHIPGTQPLPYGSLLDPETKTYPEAGEAIHATLEKALKDFHCTLDPSKPTICSCGTGVSGVIIKTALELAGVPNVRLYDGSWTEWVLKSGPEWIAENRD"},{"created_at":"2011-05-26T17:18:32.000Z","updated_at":"2011-05-26T17:18:32.000Z","name":"Putative thiosulfate sulfurtransferase FMP31, mitochondrial","uniprot_id":"Q08742","uniprot_name":"FMP31_YEAST","enzyme":true,"transporter":false,"gene_name":"FMP31","num_residues":149,"molecular_weight":"16697.19922","theoretical_pi":"10.26","general_function":"Inorganic ion transport and metabolism","specific_function":"Thiosulfate + cyanide = sulfite + thiocyanate","reactions":[{"id":2471,"direction":"\u003e","locations":"Mitochondrion. Cytoplasm;Mitochondrion","altext":"Thiosulfate + cyanide = sulfite + thiocyanate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"AY692684","genbank_protein_id":"51012819","gene_card_id":"FMP31","chromosome_location":null,"locus":"YOR286W","synonyms":["Found in mitochondrial proteome protein 31"],"enzyme_classes":["2.8.1.1"],"go_classes":[],"pfams":[{"name":"Rhodanese","identifier":"PF00581"}],"pathways":[],"gene_sequence":"ATGTTCAAGCATAGTACAGGTATTCTCTCGAGGACAGTTTCTGCAAGATCGCCTACATTGGTCCTGAGAACATTTACAACGAAGGCTCCAAAGATCTATACTTTTGACCAGGTCAGGAACCTAGTCGAACACCCCAATGATAAAAAACTATTGGTAGATGTAAGGGAACCCAAGGAAGTAAAGGATTACAAGATGCCAACTACAATAAATATTCCGGTGAATAGTGCCCCTGGCGCTCTTGGATTGCCCGAAAAGGAGTTTCACAAAGTTTTCCAATTTGCTAAACCACCTCACGATAAAGAATTGATTTTTCTTTGTGCGAAAGGAGTAAGAGCCAAAACTGCCGAAGAGTTGGCTCGATCTTATGGGTACGAAAACACTGGTATCTATCCTGGTTCTATTACTGAGTGGTTAGCTAAAGGTGGTGCTGACGTTAAGCCCAAAAAATAA","protein_sequence":"MFKHSTGILSRTVSARSPTLVLRTFTTKAPKIYTFDQVRNLVEHPNDKKLLVDVREPKEVKDYKMPTTINIPVNSAPGALGLPEKEFHKVFQFAKPPHDKELIFLCAKGVRAKTAEELARSYGYENTGIYPGSITEWLAKGGADVKPKK"},{"created_at":"2011-05-26T17:18:56.000Z","updated_at":"2011-05-26T17:18:56.000Z","name":"Putative thiosulfate sulfurtransferase YOR285W","uniprot_id":"Q12305","uniprot_name":"YO285_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":139,"molecular_weight":"15413.2002","theoretical_pi":"6.35","general_function":"Inorganic ion transport and metabolism","specific_function":"Thiosulfate + cyanide = sulfite + thiocyanate","reactions":[{"id":2471,"direction":"\u003e","locations":"Mitochondrion. Cytoplasm;Mitochondrion","altext":"Thiosulfate + cyanide = sulfite + thiocyanate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"X89633","genbank_protein_id":"1279709","gene_card_id":null,"chromosome_location":null,"locus":"YOR285W","synonyms":[],"enzyme_classes":["2.8.1.1"],"go_classes":[],"pfams":[{"name":"Rhodanese","identifier":"PF00581"}],"pathways":[],"gene_sequence":"ATGTGGAAGGCCGTGATGAATGCTTGGAATGGAACCGAGAGTCAAAGTAAGAATGTTTCAAATATTCAATCTTACAGTTTTGAAGACATGAAAAGAATCGTTGGAAAGCATGATCCTAATGTGGTTTTGGTAGATGTTAGAGAACCATCTGAGTACTCGATTGTTCATATTCCTGCTTCCATCAATGTGCCATATAGATCGCACCCTGACGCATTTGCCTTAGATCCTTTAGAATTTGAGAAACAGATTGGCATCCCAAAACCTGACAGTGCCAAGGAGCTAATATTTTATTGTGCTTCTGGCAAACGCGGGGGAGAAGCTCAAAAAGTCGCCTCCTCACATGGATATTCAAACACCTCACTATATCCTGGCTCTATGAATGATTGGGTTTCTCATGGGGGTGATAAACTTGACTTATAG","protein_sequence":"MWKAVMNAWNGTESQSKNVSNIQSYSFEDMKRIVGKHDPNVVLVDVREPSEYSIVHIPASINVPYRSHPDAFALDPLEFEKQIGIPKPDSAKELIFYCASGKRGGEAQKVASSHGYSNTSLYPGSMNDWVSHGGDKLDL"}]}