{"id":32755,"npaid":"NPA032755","original_name":"Coformycin","mol_formula":"C11H16N4O5","mol_weight":"284.2720","exact_mass":"284.1121","inchikey":"YOOVTUPUBVHMPG-LODYRLCVSA-N","smiles":"OC[C@H]1O[C@@H](N2C=NC3=C2NC=NC[C@H]3O)[C@H](O)[C@@H]1O","cluster_id":6548,"node_id":4536,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1","m_plus_h":"285.1194","m_plus_na":"307.1013","origin_reference":{"doi":"10.1021/ja00820a049","pmid":4854435,"authors":"Nakamura, H.; Koyama, G.; Iitaka, Y.; Ohno, M.; Yagisawa, N.; Kondo, S.; Maeda, K.; Umezawa, H.","title":"Structure of coformycin, an unusual nucleoside of microbial origin.","journal":"Journal of the American Chemical Society","year":1974,"volume":"96","issue":"13","pages":"4327-4328"},"origin_organism":{"id":10613,"type":"Bacterium","genus":"Streptomyces","species":"kaniharaensis","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":"10.1021/ja00820a049","structure_smiles":"OC[C@H]1O[C@@H](N2C=NC3=C2NC=NC[C@H]3O)[C@H](O)[C@@H]1O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002039"},{"external_db_name":"mibig","external_db_code":"BGC0002040"},{"external_db_name":"mibig","external_db_code":"BGC0002435"},{"external_db_name":"mibig","external_db_code":"BGC0002462"},{"external_db_name":"npmrd","external_db_code":"NP0269099"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC[C@H]2O","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=YOOVTUPUBVHMPG-LODYRLCVSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000011","name":"Carbohydrates and carbohydrate conjugates","chemont_id":"CHEMONTID:0000011","description":"Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."},"ancestors":["1,3-diazepines","Alcohols and polyols","Amidines","Azacyclic compounds","Azoles","Carbohydrates and carbohydrate conjugates","Carboxamidines","Chemical entities","Diazepines","Formamidines","Glycosyl compounds","Glycosylamines","Heteroaromatic compounds","Hydrocarbon derivatives","Imidazodiazepines","Imidazoles","Monosaccharides","N-substituted imidazoles","Organic 1,3-dipolar compounds","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Pentoses","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Substituted imidazoles","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as glycosylamines. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:16213","annotations":["coformycins"]}],"predicted_chebi_terms":["pentose (CHEBI:25901)","imidazodiazepine (CHEBI:39305)","diazepine (CHEBI:47918)","imidazoles (CHEBI:24780)","oxolanes (CHEBI:26912)","organic aromatic compound (CHEBI:33659)","secondary alcohol (CHEBI:35681)","dipolar compound (CHEBI:51151)","oxacycle (CHEBI:38104)","formamidines (CHEBI:51917)","carboxamidine (CHEBI:35359)","organonitrogen heterocyclic compound (CHEBI:38101)","primary alcohol (CHEBI:15734)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organic molecule (CHEBI:72695)","N-glycosyl compound (CHEBI:21731)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","organooxygen compound (CHEBI:36963)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","monosaccharide (CHEBI:35381)","organic heterocyclic compound (CHEBI:24532)","azole (CHEBI:68452)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)","organonitrogen compound (CHEBI:35352)","amidine (CHEBI:2634)","glycoside (CHEBI:24400)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]}}