{"id":33439,"npaid":"NPA033439","original_name":"Pyrazofurin","mol_formula":"C9H13N3O6","mol_weight":"259.2180","exact_mass":"259.0804","inchikey":"XESARGFCSKSFID-FLLFQEBCSA-N","smiles":"NC(=O)C1=C(O)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=N[NH]1","cluster_id":9473,"node_id":36,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1","m_plus_h":"260.0877","m_plus_na":"282.0696","origin_reference":{"doi":"10.1128/AAC.5.1.90","pmid":4275616,"authors":"Westhead; Price","title":"Quantitative assay of pyrazofurin, a new antiviral, antitumor antibiotic.","journal":"Antimicrobial Agents and Chemotherapy","year":1974,"volume":"5","issue":"1","pages":"90-91"},"origin_organism":{"id":4004,"type":"Bacterium","genus":"Streptomyces","species":"candidus","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1128/AAC.5.1.90","structure_smiles":"NC(=O)C1=C(O)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=N[NH]1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002292"},{"external_db_name":"npmrd","external_db_code":"NP0166948"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003737","name":"Nucleoside and nucleotide analogues","chemont_id":"CHEMONTID:0003737","description":"Analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others."},"smiles":"NC(=O)C1=NNC([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=XESARGFCSKSFID-FLLFQEBCSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003716","name":"3-ribofuranosylpyrazoles","chemont_id":"CHEMONTID:0003716","description":"Nucleoside and nucleotide analogs with a structure that consists of a pyrazole ring system which is N-substituted at the 3-position with a ribose moiety. Nucleotide analogues contain a phosphate group linked to the C5 carbon atom of the furanose."},"ancestors":["2-heteroaryl carboxamides","3-ribofuranosylpyrazoles","Alcohols and polyols","Azacyclic compounds","Azoles","C-glycosyl compounds","Carbohydrates and carbohydrate conjugates","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Glycosyl compounds","Heteroaromatic compounds","Hydrocarbon derivatives","Monosaccharides","Nucleoside and nucleotide analogues","Nucleosides, nucleotides, and analogues","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Pentoses","Primary alcohols","Primary carboxylic acid amides","Pyrazole carboxylic acids and derivatives","Pyrazole-5-carboxamides","Pyrazoles","Secondary alcohols","Tetrahydrofurans","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000289","name":"Nucleosides, nucleotides, and analogues","chemont_id":"CHEMONTID:0000289","description":"Compounds containing a nucleobase linked to a ribose or deoxyribose sugar via a beta-glycosidic linkage. The ribose or deoxyribose moiety bears at least a phosphate group in case of nucleotides."},"description":"This compound belongs to the class of organic compounds known as 3-ribofuranosylpyrazoles. These are nucleoside and nucleotide analogs with a structure that consists of a pyrazole ring system which is N-substituted at the 3-position with a ribose moiety. Nucleotide analogues contain a phosphate group linked to the C5 carbon atom of the furanose.","substituents":["3-ribofuranosylpyrazole","C-glycosyl compound","Glycosyl compound","Pentose monosaccharide","2-heteroaryl carboxamide","Pyrazole-5-carboxamide","Monosaccharide","Azole","Heteroaromatic compound","Pyrazole","Vinylogous acid","Tetrahydrofuran","Carboxamide group","Primary carboxylic acid amide","Secondary alcohol","Carboxylic acid derivative","Dialkyl ether","Ether","Oxacycle","Azacycle","Organoheterocyclic compound","Hydrocarbon derivative","Organic oxide","Organic nitrogen compound","Organonitrogen compound","Organooxygen compound","Organic oxygen compound","Primary alcohol","Organopnictogen compound","Alcohol","Aromatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003716","name":"3-ribofuranosylpyrazoles","chemont_id":"CHEMONTID:0003716","description":"Nucleoside and nucleotide analogs with a structure that consists of a pyrazole ring system which is N-substituted at the 3-position with a ribose moiety. Nucleotide analogues contain a phosphate group linked to the C5 carbon atom of the furanose."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002204","name":"C-glycosyl compounds","chemont_id":"CHEMONTID:0002204","description":"Glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001497","name":"Pentoses","chemont_id":"CHEMONTID:0001497","description":"Monosaccharides in which the carbohydrate moiety contains five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004817","name":"2-heteroaryl carboxamides","chemont_id":"CHEMONTID:0004817","description":"Compounds containing a heteroaromatic ring that carries a carboxamide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004207","name":"Pyrazole-5-carboxamides","chemont_id":"CHEMONTID:0004207","description":"Compounds containing a pyrazole ring that carries a carboxamide group at the 4-position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003889","name":"Vinylogous acids","chemont_id":"CHEMONTID:0003889","description":"Organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002648","name":"Tetrahydrofurans","chemont_id":"CHEMONTID:0002648","description":"Heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001662","name":"Primary carboxylic acid amides","chemont_id":"CHEMONTID:0001662","description":"Compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001167","name":"Dialkyl ethers","chemont_id":"CHEMONTID:0001167","description":"Organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000286","name":"Primary alcohols","chemont_id":"CHEMONTID:0000286","description":"Compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. Pnictogens are p-block element atoms that are in the group 15 of the periodic table."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["C-glycosyl compound (CHEBI:20857)","pentose (CHEBI:25901)","organic aromatic compound (CHEBI:33659)","carboxamide (CHEBI:37622)","pyrazoles (CHEBI:26410)","enone (CHEBI:51689)","enol (CHEBI:33823)","oxolanes (CHEBI:26912)","secondary alcohol (CHEBI:35681)","ether (CHEBI:25698)","organonitrogen heterocyclic compound (CHEBI:38101)","oxacycle (CHEBI:38104)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","primary alcohol (CHEBI:15734)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","N-glycosyl compound (CHEBI:21731)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","organooxygen compound (CHEBI:36963)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","glycoside (CHEBI:24400)","monosaccharide (CHEBI:35381)","amide (CHEBI:32988)","organic heterocyclic compound (CHEBI:24532)","azole (CHEBI:68452)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)","nucleobase-containing molecular entity (CHEBI:61120)","carbohydrate derivative (CHEBI:63299)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]}}