{"id":950,"npaid":"NPA000950","original_name":"Karnamicin C5","mol_formula":"C16H21N3O5S","mol_weight":"367.4270","exact_mass":"367.1202","inchikey":"LOKJKKSGZWKPAO-UHFFFAOYSA-N","smiles":"CCCCC(C1=NC(=CS1)C2=NC(=C(C(=C2OC)OC)O)C(=O)N)O","cluster_id":663,"node_id":589,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H21N3O5S/c1-4-5-6-9(20)16-18-8(7-25-16)10-13(23-2)14(24-3)12(21)11(19-10)15(17)22/h7,9,20-21H,4-6H2,1-3H3,(H2,17,22)","m_plus_h":"368.1275","m_plus_na":"390.1094","origin_reference":{"doi":"10.7164/antibiotics.42.852","pmid":2661511,"authors":"NISHIO, MAKI; TOMATSU, Kozo; KONISHI, MASATAKA; TOMITA, KOJI; OKI, TOSHIKAZU; KAWAGUCHI, HIROSHI; CLARDY, JON","title":"Karnamicin, a complex of new antifungal antibiotics. I. Taxonomy, fermentation, isolation and physico-chemical and biological properties","journal":"Journal of Antibiotics","year":1989,"volume":"42","issue":"6","pages":"852-868"},"origin_organism":{"id":753,"type":"Bacterium","genus":"Saccharothrix","species":"aerocolonigenes No. N806-4","taxon":{"id":241,"name":"Saccharothrix","rank":"genus","taxon_db":"lpsn","external_id":"516532","ncbi_id":2071,"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":224,"name":"Pseudonocardiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85010},{"id":225,"name":"Pseudonocardiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2070}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.42.852","structure_smiles":"CCCCC(C1=NC(=CS1)C2=NC(=C(C(=C2OC)OC)O)C(=O)N)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014935"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000089","name":"Pyridines and derivatives","chemont_id":"CHEMONTID:0000089","description":"Compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms."},"smiles":"CCCCC(O)C1=NC(=CS1)C1=NC(C(N)=O)=C(O)C(OC)=C1OC","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=LOKJKKSGZWKPAO-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001322","name":"Pyridinecarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001322","description":"Compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof."},"ancestors":["2,4-disubstituted thiazoles","2-heteroaryl carboxamides","Alcohols and polyols","Alkyl aryl ethers","Aromatic alcohols","Azacyclic compounds","Azoles","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxypyridines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Primary carboxylic acid amides","Pyridinecarboxamides","Pyridinecarboxylic acids and derivatives","Pyridines and derivatives","Secondary alcohols","Thiazoles","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as pyridinecarboxamides. 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They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003073","name":"Aromatic alcohols","chemont_id":"CHEMONTID:0003073","description":"Compounds containing an alcohol group attached to an aromatic carbon."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["organic aromatic compound (CHEBI:33659)","carboxamide (CHEBI:37622)","hydroxypyridine (CHEBI:24745)","aromatic ether (CHEBI:35618)","thiazoles (CHEBI:48901)","enone (CHEBI:51689)","enol (CHEBI:33823)","secondary alcohol (CHEBI:35681)","organonitrogen heterocyclic compound (CHEBI:38101)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","aromatic alcohol (CHEBI:33854)","organothiophosphorus compound (CHEBI:25716)","phosphoramide (CHEBI:17102)","chemical entity (CHEBI:24431)","organic acid (CHEBI:64709)","carboxylic acid (CHEBI:33575)","organooxygen compound (CHEBI:36963)","amide (CHEBI:32988)","organic heterocyclic compound (CHEBI:24532)","pyridines (CHEBI:26421)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","ether (CHEBI:25698)","azole (CHEBI:68452)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)","aromatic carboxylic acid (CHEBI:33859)","pyridinemonocarboxylic acid (CHEBI:26420)","pyrimidinecarboxamide (CHEBI:48438)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Pyridine alkaloids"],"pathway_results":["Alkaloids"],"superclass_results":["Nicotinic acid alkaloids"]}}