{"id":10467,"npaid":"NPA010467","original_name":"Karnamicin D4","mol_formula":"C17H21N3O5S","mol_weight":"379.4380","exact_mass":"379.1202","inchikey":"HAIXZPGKMNHUIM-UHFFFAOYSA-N","smiles":"CCC(=O)CCCC1=NC(=CS1)C2=NC(=C(C(=C2OC)OC)O)C(=O)N","cluster_id":663,"node_id":589,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C17H21N3O5S/c1-4-9(21)6-5-7-11-19-10(8-26-11)12-15(24-2)16(25-3)14(22)13(20-12)17(18)23/h8,22H,4-7H2,1-3H3,(H2,18,23)","m_plus_h":"380.1275","m_plus_na":"402.1094","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":"CCC(=O)CCCC1=NC(=CS1)C2=NC(=C(C(=C2OC)OC)O)C(=O)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014939"}],"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":"CCC(=O)CCCC1=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=HAIXZPGKMNHUIM-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","Alkyl aryl ethers","Azacyclic compounds","Azoles","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxypyridines","Ketones","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","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. These are compounds containing a pyridine ring bearing a carboxamide.","substituents":["Pyridinecarboxamide","2-heteroaryl carboxamide","2,4-disubstituted 1,3-thiazole","Alkyl aryl ether","Hydroxypyridine","Azole","Heteroaromatic compound","Thiazole","Vinylogous acid","Carboxamide group","Ketone","Primary carboxylic acid amide","Ether","Carboxylic acid derivative","Azacycle","Organooxygen compound","Organonitrogen compound","Organic oxygen compound","Organic nitrogen compound","Carbonyl group","Organic oxide","Hydrocarbon derivative","Aromatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001326","name":"Pyridinecarboxamides","chemont_id":"CHEMONTID:0001326","description":"Compounds containing a pyridine ring bearing a carboxamide."},"intermediate_nodes":[],"alternative_parents":[{"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/C0004151","name":"Hydroxypyridines","chemont_id":"CHEMONTID:0004151","description":"Organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000128","name":"Alkyl aryl ethers","chemont_id":"CHEMONTID:0000128","description":"Organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002634","name":"2,4-disubstituted thiazoles","chemont_id":"CHEMONTID:0002634","description":"Compounds containing a thiazole ring substituted at the positions 2 and 3."},{"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/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/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/C0000118","name":"Ketones","chemont_id":"CHEMONTID:0000118","description":"Organic compounds  in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."},{"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/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."}],"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)","ketone (CHEBI:17087)","organonitrogen heterocyclic compound (CHEBI:38101)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","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)","carbonyl compound (CHEBI:36586)","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"]}}