{"id":4116,"npaid":"NPA004116","original_name":"Cytosaminomycin C","mol_formula":"C23H36N4O8","mol_weight":"496.5610","exact_mass":"496.2533","inchikey":"QIFBWQHIMSOVGC-NJGLGVPISA-N","smiles":"C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)N3C=CC(=NC3=O)NC(=O)C=C(C)C)C)O)O)N(C)C","cluster_id":1451,"node_id":1200,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H36N4O8/c1-11(2)9-16(29)24-15-7-8-27(23(32)25-15)17-10-14(28)21(13(4)33-17)35-22-20(31)19(30)18(26(5)6)12(3)34-22/h7-9,12-14,17-22,28,30-31H,10H2,1-6H3,(H,24,25,29,32)/t12-,13-,14-,17-,18-,19+,20-,21-,22-/m1/s1","m_plus_h":"497.2606","m_plus_na":"519.2425","origin_reference":{"doi":"10.7164/antibiotics.47.774","pmid":8071122,"authors":"Haneda; Shinose; Seino; Tabata; Tomoda; Iwai; Omura","title":"Cytosaminomycins, new anticoccidial agents produced by Streptomyces sp. KO-8119. I. Taxonomy, production, isolation and physico-chemical and biological properties","journal":"Journal of Antibiotics","year":1994,"volume":"47","issue":"7","pages":"774-781"},"origin_organism":{"id":1686,"type":"Bacterium","genus":"Streptomyces","species":"amakusaensis KO-8119","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":"10.7164/antibiotics.47.774","structure_smiles":"C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)N3C=CC(=NC3=O)NC(=O)C=C(C)C)C)O)O)N(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0022717"}],"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":"C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O[C@H]1O[C@H](C)[C@H]([C@H](O)[C@H]1O)N(C)C)N1C=CC(NC(=O)C=C(C)C)=NC1=O","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=QIFBWQHIMSOVGC-NJGLGVPISA-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":["1,2-aminoalcohols","Acetals","Alcohols and polyols","Alkanolamines","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminoglycosides","Aminosaccharides","Azacyclic compounds","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Diazines","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyrimidines","Imidolactams","Monosaccharides","N-arylamides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Pyrimidines and pyrimidine derivatives","Pyrimidones","Secondary alcohols","Secondary carboxylic acid amides","Tertiary amines","Trialkylamines"],"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 aminoglycosides. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["aromatic amide (CHEBI:62733)","pyrimidone (CHEBI:38337)","oxanes (CHEBI:46942)","monosaccharide (CHEBI:35381)","heterocyclic compound (CHEBI:5686)","dicarboximide (CHEBI:35356)","organosulfur compound (CHEBI:33261)","pyrimidines (CHEBI:39447)","organic aromatic compound (CHEBI:33659)","tertiary amino compound (CHEBI:50996)","carboxamide (CHEBI:37622)","secondary alcohol (CHEBI:35681)","amino alcohol (CHEBI:22478)","organonitrogen compound (CHEBI:35352)","organooxygen compound (CHEBI:36963)","oxacycle (CHEBI:38104)","acetal (CHEBI:59769)","organonitrogen heterocyclic compound (CHEBI:38101)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","carbonyl compound (CHEBI:36586)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","aminoglycoside (CHEBI:47779)","chemical entity (CHEBI:24431)","nitrogen molecular entity (CHEBI:51143)","organic heterocyclic compound (CHEBI:24532)","diazines (CHEBI:38313)","oxygen molecular entity (CHEBI:25806)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","amine (CHEBI:32952)","tertiary amine (CHEBI:32876)","organic acid (CHEBI:64709)","carboxylic acid (CHEBI:33575)","amide (CHEBI:32988)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","ether (CHEBI:25698)","amino sugar (CHEBI:28963)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":true,"class_results":["Pyrimidine nucleosides"],"pathway_results":["Carbohydrates"],"superclass_results":["Nucleosides"]}}