{"id":21164,"npaid":"NPA021164","original_name":"Destomycin C","mol_formula":"C21H39N3O13","mol_weight":"541.5510","exact_mass":"541.2483","inchikey":"XQRJFJIKNNEPNI-UNGVYMPWSA-N","smiles":"CN[C@H]1C[C@@H]([C@H](C([C@@H]1O)O[C@H]2[C@H]3[C@@H]([C@H]([C@@H](O2)CO)O)O[C@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@@H](CO)N)O)O)O)O)NC","cluster_id":5132,"node_id":3674,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C21H39N3O13/c1-23-7-3-8(24-2)11(28)16(10(7)27)34-20-18-17(12(29)9(5-26)33-20)36-21(37-18)19(32)14(31)13(30)15(35-21)6(22)4-25/h6-20,23-32H,3-5,22H2,1-2H3/t6-,7+,8+,9+,10-,11-,12+,13-,14+,15-,17-,18-,19-,20+,21+/m1/s1","m_plus_h":"542.2556","m_plus_na":"564.2375","origin_reference":{"doi":"10.7164/antibiotics.28.83","pmid":1126870,"authors":"Shimura M; Sekizawa Y; Iinuma K; Naganawa H; Kondo S","title":"DESTOMYCIN C, A NEW MEMBER OF DESTOMYCIN FAMILY ANTIBIOTICS","journal":"Journal of Antibiotics","year":1975,"volume":"28","issue":"1","pages":"83-84"},"origin_organism":{"id":6385,"type":"Bacterium","genus":"Streptomyces","species":"rimofaciens","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.28.83","structure_smiles":"CN[C@H]1C[C@@H]([C@H](C([C@@H]1O)O[C@H]2[C@H]3[C@@H]([C@H]([C@@H](O2)CO)O)O[C@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@@H](CO)N)O)O)O)O)NC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003630"}],"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":"CN[C@H]1C[C@H](NC)[C@@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]3O[C@@]4(O[C@@H]23)O[C@H]([C@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O","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=XQRJFJIKNNEPNI-UNGVYMPWSA-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","1,3-dioxolanes","2-deoxystreptamine aminoglycosides","Acetals","Alcohols and polyols","Alkanolamines","Amines","Aminocyclitol glycosides","Aminocyclitols and derivatives","Aminoglycosides","Aminosaccharides","Carbohydrates and carbohydrate conjugates","Carboxylic acid orthoesters","Chemical entities","Cyclic alcohols and derivatives","Cyclitols and derivatives","Cyclohexanols","Cyclohexylamines","Dialkylamines","Dioxolanes","Dioxolopyrans","Disaccharides","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Monoalkylamines","O-glycosyl compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Ortho esters","Orthocarboxylic acid derivatives","Oxacyclic compounds","Oxanes","Polyols","Primary alcohols","Primary amines","Secondary alcohols","Secondary amines"],"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 2-deoxystreptamine aminoglycosides. 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There are two major classes of aminoglycosides containing a 2-streptamine core. 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These of also include derivatives where the hydrogen atom of one or more of the hydroxyl groups is replaced with another atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002926","name":"Ortho esters","chemont_id":"CHEMONTID:0002926","description":"Compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002674","name":"Cyclohexylamines","chemont_id":"CHEMONTID:0002674","description":"Organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002647","name":"Cyclohexanols","chemont_id":"CHEMONTID:0002647","description":"Compounds containing an alcohol group attached to a cyclohexane ring."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001237","name":"Carboxylic acid orthoesters","chemont_id":"CHEMONTID:0001237","description":"Carboxylic acid derivatives containing a carbon atom form three single bonds, each with one oxygen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001316","name":"1,3-dioxolanes","chemont_id":"CHEMONTID:0001316","description":"Organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001897","name":"1,2-aminoalcohols","chemont_id":"CHEMONTID:0001897","description":"Organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"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/C0002228","name":"Dialkylamines","chemont_id":"CHEMONTID:0002228","description":"Organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001656","name":"Acetals","chemont_id":"CHEMONTID:0001656","description":"Compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups."},{"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000469","name":"Monoalkylamines","chemont_id":"CHEMONTID:0000469","description":"Organic compounds containing an primary aliphatic amine 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":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["glycoside (CHEBI:24400)","disaccharide (CHEBI:36233)","oxacycle (CHEBI:38104)","organic heterobicyclic compound (CHEBI:27171)","organonitrogen compound (CHEBI:35352)","organooxygen compound (CHEBI:36963)","ortho ester (CHEBI:71989)","primary aliphatic amine (CHEBI:17062)","cyclohexanols (CHEBI:23480)","oxanes (CHEBI:46942)","dioxolane (CHEBI:39430)","amino alcohol (CHEBI:22478)","polyol (CHEBI:26191)","secondary amino compound (CHEBI:50995)","acetal (CHEBI:59769)","primary alcohol (CHEBI:15734)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","alkylamine (CHEBI:13759)","organic molecule (CHEBI:72695)","amino cyclitol (CHEBI:61689)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","organic heterocyclic compound (CHEBI:24532)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)","secondary alcohol (CHEBI:35681)","amine (CHEBI:32952)","secondary amine (CHEBI:32863)","ether (CHEBI:25698)","primary amine (CHEBI:32877)","amino sugar (CHEBI:28963)","aminoglycoside (CHEBI:47779)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":true,"class_results":["Amino cyclitols","Polysaccharides"],"pathway_results":["Carbohydrates"],"superclass_results":["Polyols","Saccharides"]}}