{"id":24602,"npaid":"NPA024602","original_name":"Lincomycin","mol_formula":"C18H34N2O6S","mol_weight":"406.5450","exact_mass":"406.2138","inchikey":"OJMMVQQUTAEWLP-KIDUDLJLSA-N","smiles":"CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O","cluster_id":5339,"node_id":3802,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1","m_plus_h":"407.2211","m_plus_na":"429.2030","origin_reference":{"doi":"10.5281/zenodo.3541166","pmid":14217764,"authors":"MACLEOD AJ; ROSS HB; OZERE RL; DIGOUT G; VAN ROOYENC","title":"LINCOMYCIN: A NEW ANTIBIOTIC ACTIVE AGAINST STAPHYLOCOCCI AND OTHER GRAM-POSITIVE COCCI: CLINICAL AND LABORATORY STUDIES.","journal":"Canadian Medical Association Journal","year":1964,"volume":"91","issue":null,"pages":"1056-1060"},"origin_organism":{"id":8704,"type":"Bacterium","genus":"Streptomyces","species":"lincolnensis var. lincolnensis","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":"10.5281/zenodo.3541166","structure_smiles":"CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000907"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012113274%Suspect related to Massbank:AU118003 Lincomycin|(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide (predicted molecular formula SIRIUS: C16H32N4O5S2 / BUDDY: C24H28N2O3S) with delta m/z 17.973 (putative explanation: Pro->Asp substitution; atomic difference: -1C,-2H,2O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004721938%Lincomycin A%3!CCMSLIB00000077092%Lincomycin aka \"(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanylox%1!CCMSLIB00000223744%Massbank:UF410501 Lincomycin%3!CCMSLIB00000223745%Massbank:UF410502 Lincomycin%3!CCMSLIB00000223746%Massbank:UF410503 Lincomycin%3!CCMSLIB00000223747%Massbank:UF410504 Lincomycin%3!CCMSLIB00000563635%MoNA:955005 Lincomycin%3!CCMSLIB00000568450%MoNA:953586 Lincomycin%3!CCMSLIB00000568475%MoNA:955813 Lincomycin%3!CCMSLIB00000568615%MoNA:950301 Lincomycin%3!CCMSLIB00000568872%MoNA:970805 Lincomycin%3!CCMSLIB00000569005%MoNA:957330 Lincomycin%3!CCMSLIB00000569149%MoNA:954274 Lincomycin%3!CCMSLIB00000569155%MoNA:951664 Lincomycin%3!CCMSLIB00000569156%MoNA:952022 Lincomycin%3!CCMSLIB00000569164%MoNA:955005 Lincomycin%3!CCMSLIB00000569170%MoNA:952896 Lincomycin%3!CCMSLIB00000569209%MoNA:971105 Lincomycin%3!CCMSLIB00000573378%MoNA:951664 Lincomycin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00006126847%Lincomycin%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010109100%lincomycin CollisionEnergy:102040%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010109101%lincomycin CollisionEnergy:102040%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010109102%lincomycin CollisionEnergy:102040%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010109103%lincomycin CollisionEnergy:102040%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010120441%lincomycin CollisionEnergy:205060%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010120442%lincomycin CollisionEnergy:205060%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010120443%lincomycin CollisionEnergy:205060%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010120444%lincomycin CollisionEnergy:205060%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009950904%Suspect related to Lincomycin A (predicted molecular formula: C17H32N2O7) with delta m/z -29.994 (putative explanation: Homoserine|Met->Thr substitution|Hydroxylation of thiomethyl; atomic difference: -1C,-2H,1O,-1S|-1C,-2H,1O,-1S|1O,-1S,-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009950905%Suspect related to Lincomycin A (predicted molecular formula: C17H32N2O6S) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009950906%Suspect related to Lincomycin A (predicted molecular formula: C18H34N2O7S) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009953071%Suspect related to Massbank:AU118003 Lincomycin|(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide (predicted molecular formula: C16H32N4O5S2) with delta m/z 17.973 (putative explanation: Pro->Asp substitution; atomic difference: -1C,-2H,2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726171%Massbank:UF410553 Lincomycin|(2S,4R)-N-[(1R,2R)-2-Hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726666%Massbank:UF410552 Lincomycin|(2S,4R)-N-[(1R,2R)-2-Hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726753%Massbank:UF410551 Lincomycin|(2S,4R)-N-[(1R,2R)-2-Hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005726880%Massbank:UF410554 Lincomycin|(2S,4R)-N-[(1R,2R)-2-Hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005730062%Massbank:EQ368756 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005730083%Massbank:EQ368701 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005730160%Massbank:EQ368759 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005730703%Massbank:EQ368757 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005731092%Massbank:EQ368758 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005731174%Massbank:EQ368704 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005731455%Massbank:EQ368705 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005732132%Massbank:EQ368755 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005732232%Massbank:EQ368707 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005735823%Massbank:EQ368708 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733180%Massbank:EQ368706 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733359%Massbank:EQ368753 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005734140%Massbank:EQ368751 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005735538%Massbank:EQ368754 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005735699%Massbank:EQ368703 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005735742%Massbank:EQ368752 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005736543%Massbank:EQ368709 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005736676%Massbank:EQ368702 Lincomycin|N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005773375%Massbank:AU118001 Lincomycin|(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005773954%Massbank:AU118002 Lincomycin|(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005775641%Massbank:AU118004 Lincomycin|(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005775705%Massbank:AU118005 Lincomycin|(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005776004%Massbank:AU118003 Lincomycin|(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012111107%Suspect related to Lincomycin A (predicted molecular formula SIRIUS: C17H32N2O7 / BUDDY: C17H32N2O7) with delta m/z -29.994 (putative explanation: Homoserine|Met->Thr substitution|Hydroxylation of thiomethyl; atomic difference: -1C,-2H,1O,-1S|-1C,-2H,1O,-1S|1O,-1S,-1C,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012111108%Suspect related to Lincomycin A (predicted molecular formula SIRIUS: C17H32N2O6S / BUDDY: C17H32N2O6S) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012111109%Suspect related to Lincomycin A (predicted molecular formula SIRIUS: C18H34N2O7S / BUDDY: C19H30N6O3S) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O) [M+H]+%4"},{"external_db_name":"npmrd","external_db_code":"NP0004837"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[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=OJMMVQQUTAEWLP-KIDUDLJLSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and 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amines","Thioacetals","Thioglycosides","Trialkylamines"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.","substituents":["Proline or derivatives","Alpha-amino acid amide","Glycosyl compound","S-glycosyl compound","Pyrrolidine carboxylic acid or derivatives","Pyrrolidine-2-carboxamide","Monosaccharide","Oxane","N-alkylpyrrolidine","Monothioacetal","Pyrrolidine","Tertiary aliphatic amine","Tertiary amine","Secondary carboxylic acid amide","Secondary alcohol","Carboxamide group","Azacycle","Organoheterocyclic compound","Oxacycle","Sulfenyl compound","Polyol","Hydrocarbon derivative","Organosulfur compound","Organooxygen compound","Organonitrogen compound","Alcohol","Organopnictogen compound","Organic oxygen compound","Organic oxide","Carbonyl group","Amine","Organic nitrogen compound","Aliphatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004322","name":"Proline and derivatives","chemont_id":"CHEMONTID:0004322","description":"Compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom."},"intermediate_nodes":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000347","name":"Amino acids and derivatives","chemont_id":"CHEMONTID:0000347","description":"Organic compounds containing an amine group, a carboxylic acid group (or a derivative thereof), and a side-chain that is specific to each amino acid."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000060","name":"Alpha amino acids and derivatives","chemont_id":"CHEMONTID:0000060","description":"Amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof."}],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002309","name":"Alpha amino acid amides","chemont_id":"CHEMONTID:0002309","description":"Amide derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002205","name":"Thioglycosides","chemont_id":"CHEMONTID:0002205","description":"Glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002256","name":"Pyrrolidinecarboxamides","chemont_id":"CHEMONTID:0002256","description":"Pyrrolidines in which the pyrrolidine rings is substituted at one or more positions by a carboxamide group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001540","name":"Monosaccharides","chemont_id":"CHEMONTID:0001540","description":"Compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003449","name":"N-alkylpyrrolidines","chemont_id":"CHEMONTID:0003449","description":"Compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."},{"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/C0002131","name":"Monothioacetals","chemont_id":"CHEMONTID:0002131","description":"Compounds containing a monothioacetal functional group with the general structure R2C(OR')(SR')."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002239","name":"Trialkylamines","chemont_id":"CHEMONTID:0002239","description":"Organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001663","name":"Secondary carboxylic acid amides","chemont_id":"CHEMONTID:0001663","description":"Compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"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/C0003260","name":"Sulfenyl compounds","chemont_id":"CHEMONTID:0003260","description":"Organosulfur compounds a sulfenyl group with the general formula RS (R = organyl)."},{"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/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"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/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide 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."},{"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."}],"molecular_framework":"Aliphatic heteromonocyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:6472","annotations":["monocarboxylic acid amide","pyrrolidinecarboxamide","L-proline derivative","carbohydrate-containing antibiotic","S-glycosyl compound"]}],"predicted_chebi_terms":["amino acid amide (CHEBI:22475)","S-glycosyl compound (CHEBI:35275)","pyrrolidinecarboxamide (CHEBI:46770)","monosaccharide (CHEBI:35381)","N-alkylpyrrolidine (CHEBI:46775)","oxanes (CHEBI:46942)","monothioacetal (CHEBI:59793)","tertiary amino compound (CHEBI:50996)","carboxamide (CHEBI:37622)","secondary alcohol (CHEBI:35681)","organonitrogen heterocyclic compound (CHEBI:38101)","organosulfur compound (CHEBI:33261)","oxacycle (CHEBI:38104)","polyol (CHEBI:26191)","organic oxide (CHEBI:25701)","carbonyl compound (CHEBI:36586)","organic molecule (CHEBI:72695)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","proline derivative (CHEBI:26273)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","organonitrogen compound (CHEBI:35352)","oxygen molecular entity (CHEBI:25806)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","glycoside (CHEBI:24400)","organic heterocyclic compound (CHEBI:24532)","pyrrolidines (CHEBI:38260)","thioacetal (CHEBI:59792)","nitrogen molecular entity (CHEBI:51143)","amine (CHEBI:32952)","tertiary amine (CHEBI:32876)","amide (CHEBI:32988)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":true,"class_results":["Aminoglycosides"],"pathway_results":["Carbohydrates"],"superclass_results":["Aminosugars and aminoglycosides"]}}