{"id":5142,"npaid":"NPA005142","original_name":"A-503083 A","mol_formula":"C25H34N6O13","mol_weight":"626.5760","exact_mass":"626.2184","inchikey":"DSKGVLLYPPLLJF-UHFFFAOYSA-N","smiles":"CC1CCCC(C(=O)N1)NC(=O)C2=CC(C(C(O2)OC(C3C(C(C(O3)N4C=CC(=O)NC4=O)OC(=O)N)OC)C(=O)N)O)O","cluster_id":3,"node_id":3,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H34N6O13/c1-9-4-3-5-10(20(36)28-9)29-21(37)12-8-11(32)14(34)23(41-12)43-17(19(26)35)16-15(40-2)18(44-24(27)38)22(42-16)31-7-6-13(33)30-25(31)39/h6-11,14-18,22-23,32,34H,3-5H2,1-2H3,(H2,26,35)(H2,27,38)(H,28,36)(H,29,37)(H,30,33,39)","m_plus_h":"627.2257","m_plus_na":"649.2076","origin_reference":{"doi":"10.7164/antibiotics.57.639","pmid":15638324,"authors":"Muramatsu, Yasunori; Ohnuki, Takashi; Ishii, Michiko Miyazawa; Kizuka, Masaaki; Enokita, Ryuzo; Miyakoshi, Shunichi; Takatsu, Toshio; Inukai, Masatoshi","title":"A-503083 A, B, E and F, novel inhibitors of bacterial translocase i, produced by Streptomyces sp. SANK 62799","journal":"Journal of Antibiotics","year":2004,"volume":"57","issue":"10","pages":"639-646"},"origin_organism":{"id":3,"type":"Bacterium","genus":"Streptomyces","species":"sp. SANK 62799","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.57.639","structure_smiles":"CC1CCCC(C(=O)N1)NC(=O)C2=CC(C(C(O2)OC(C3C(C(C(O3)N4C=CC(=O)NC4=O)OC(=O)N)OC)C(=O)N)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000288"},{"external_db_name":"npmrd","external_db_code":"NP0005645"}],"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":"COC1C(OC(N)=O)C(OC1C(OC1OC(=CC(O)C1O)C(=O)NC1CCCC(C)NC1=O)C(N)=O)N1C=CC(=O)NC1=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=DSKGVLLYPPLLJF-UHFFFAOYSA-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":["1,2-diols","Acetals","Alcohols and polyols","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azepanes","Caprolactams","Carbamate esters","Carbamic acids and derivatives","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Diazines","Disaccharides","Ethers","Glycosyl compounds","Glycosylamines","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyrimidines","Lactams","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxolanes","Polyols","Primary carboxylic acid amides","Pyrimidines and pyrimidine derivatives","Pyrimidones","Secondary alcohols","Secondary carboxylic acid amides","Ureas","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-alpha amino acids and derivatives. 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Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000307","name":"Azepanes","chemont_id":"CHEMONTID:0000307","description":"Organic compounds containing a saturated seven member heterocycle, with one nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000291","name":"Pyrimidones","chemont_id":"CHEMONTID:0000291","description":"Compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002202","name":"Hydropyrimidines","chemont_id":"CHEMONTID:0002202","description":"Compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003890","name":"Vinylogous amides","chemont_id":"CHEMONTID:0003890","description":"Organic compounds containing an amine group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001162","name":"Carbamate esters","chemont_id":"CHEMONTID:0001162","description":"Compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). 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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/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/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/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. 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