{"id":13044,"npaid":"NPA013044","original_name":"Altemicidin","mol_formula":"C13H20N4O7S","mol_weight":"376.3910","exact_mass":"376.1053","inchikey":"VZRFZUPFQKSXPV-VPFIQFBESA-N","smiles":"CN1C[C@@H]2[C@@H](C[C@@H]([C@]2(C(=O)O)NC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N","cluster_id":4827,"node_id":3488,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C13H20N4O7S/c1-17-3-7(11(14)20)6-2-9(18)13(12(21)22,8(6)4-17)16-10(19)5-25(15,23)24/h3,6,8-9,18H,2,4-5H2,1H3,(H2,14,20)(H,16,19)(H,21,22)(H2,15,23,24)/t6-,8+,9-,13+/m0/s1","m_plus_h":"377.1126","m_plus_na":"399.0945","origin_reference":{"doi":"10.7164/antibiotics.42.1562","pmid":2584138,"authors":"Takahashi, A; Ikeda, D; Nakamura, H; Naganawa, H; Kurasawa, S; Okami, Y; Takeuchi, T; IitakaY","title":"Altemicidin, a new acaricidal and antitumor substance. II. Structure determination","journal":"Journal of Antibiotics","year":1989,"volume":"42","issue":"11","pages":"1562-1566"},"origin_organism":{"id":4572,"type":"Bacterium","genus":"Streptomyces","species":"sioyaensis SA-1758","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.42.1562","structure_smiles":"CN1C[C@@H]2[C@@H](C[C@@H]([C@]2(C(=O)O)NC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013955"}],"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":"CN1C[C@@H]2[C@@H](C[C@H](O)[C@@]2(NC(=O)CS(N)(=O)=O)C(O)=O)C(=C1)C(N)=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=VZRFZUPFQKSXPV-VPFIQFBESA-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","Allylamines","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminosulfonyl compounds","Azacyclic compounds","Beta hydroxy acids and derivatives","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Enamines","Hydrocarbon derivatives","Hydropyridines","Hydroxy acids and derivatives","Monocarboxylic acids and derivatives","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organic sulfonamides","Organic sulfonic acids and derivatives","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfonamides","Organosulfonic acids and derivatives","Organosulfur compounds","Primary carboxylic acid amides","Pyridines and derivatives","Secondary alcohols","Secondary carboxylic acid amides","Sulfonyls","Tertiary amines","Tetrahydropyridines","Trialkylamines","Vinylogous amides"],"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 n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.","substituents":["N-acyl-l-alpha-amino acid","Beta-hydroxy acid","Tetrahydropyridine","Hydroxy acid","Organic sulfonic acid amide","Organosulfonic acid amide","Cyclic alcohol","Organic sulfonic acid or derivatives","Organosulfonic acid or derivatives","Sulfonyl","Vinylogous amide","Aminosulfonyl compound","Amino acid","Carboxamide group","Primary carboxylic acid amide","Secondary alcohol","Secondary carboxylic acid amide","Tertiary amine","Tertiary aliphatic amine","Carboxylic acid","Allylamine","Organoheterocyclic compound","Azacycle","Enamine","Monocarboxylic acid or derivatives","Organopnictogen compound","Organonitrogen compound","Organooxygen compound","Alcohol","Organosulfur compound","Hydrocarbon derivative","Organic oxide","Amine","Organic nitrogen compound","Carbonyl group","Organic oxygen compound","Aliphatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004148","name":"N-acyl-L-alpha-amino acids","chemont_id":"CHEMONTID:0004148","description":"N-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom."},"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001189","name":"N-acyl-alpha amino acids and derivatives","chemont_id":"CHEMONTID:0001189","description":"Compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002402","name":"N-acyl-alpha amino acids","chemont_id":"CHEMONTID:0002402","description":"Compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom."}],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001934","name":"Tetrahydropyridines","chemont_id":"CHEMONTID:0001934","description":"Derivatives of  pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001713","name":"Beta hydroxy acids and derivatives","chemont_id":"CHEMONTID:0001713","description":"Compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001585","name":"Organosulfonamides","chemont_id":"CHEMONTID:0001585","description":"Compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; 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They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["tetrahydropyridine (CHEBI:26921)","3-hydroxy carboxylic acid (CHEBI:61355)","sulfonamide (CHEBI:35358)","organosulfur compound (CHEBI:33261)","organic molecular entity (CHEBI:50860)","enone (CHEBI:51689)","enamine (CHEBI:47989)","organonitrogen compound (CHEBI:35352)","tertiary amino compound (CHEBI:50996)","carboxamide (CHEBI:37622)","secondary alcohol (CHEBI:35681)","amino acid (CHEBI:33709)","organic hydroxy compound (CHEBI:33822)","amine (CHEBI:32952)","organonitrogen heterocyclic compound (CHEBI:38101)","carbonyl compound (CHEBI:36586)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","pnictogen molecular entity (CHEBI:33302)","organic molecule (CHEBI:72695)","organic oxide (CHEBI:25701)","N-acyl-L-alpha-amino acid (CHEBI:48927)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","pyridines (CHEBI:26421)","dihydropyridine (CHEBI:50075)","organooxygen compound (CHEBI:36963)","hydroxy carboxylic acid (CHEBI:24669)","sulfonic acid derivative (CHEBI:33552)","sulfone (CHEBI:35850)","nitrogen molecular entity (CHEBI:51143)","tertiary amine (CHEBI:32876)","amide (CHEBI:32988)","oxygen molecular entity (CHEBI:25806)","polyol (CHEBI:26191)","alcohol (CHEBI:30879)","peptide (CHEBI:16670)","N-acyl-amino acid (CHEBI:51569)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":[],"superclass_results":[]}}