{"id":6044,"npaid":"NPA006044","original_name":"Malleobactin D","mol_formula":"C46H80N16O23","mol_weight":"1225.2350","exact_mass":"1224.5582","inchikey":"AOKYZSLJEULWJU-KOSIIYQHSA-N","smiles":"NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC/N=[N+](\\[O-])CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)[C@@H](O)C(=O)O)NC=O)[C@@H](O)C(=O)O","cluster_id":1582,"node_id":1298,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C46H80N16O23/c47-13-1-3-15-49-37(71)29(11-6-18-60(83)25-67)54-41(75)31(21-63)56-43(77)33(35(69)45(79)80)58-39(73)27(51-23-65)9-5-17-53-62(85)20-8-10-28(52-24-66)40(74)59-34(36(70)46(81)82)44(78)57-32(22-64)42(76)55-30(12-7-19-61(84)26-68)38(72)50-16-4-2-14-48/h23-36,63-64,69-70,83-84H,1-22,47-48H2,(H,49,71)(H,50,72)(H,51,65)(H,52,66)(H,54,75)(H,55,76)(H,56,77)(H,57,78)(H,58,73)(H,59,74)(H,79,80)(H,81,82)/b62-53-/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+/m0/s1","m_plus_h":"1225.5655","m_plus_na":"1247.5474","origin_reference":{"doi":"10.1002/anie.201303196","pmid":23821334,"authors":"Franke, Jakob; Ishida, Keishi; Ishida-Ito, Mie; Hertweck, Christian","title":"Nitro versus hydroxamate in siderophores of pathogenic bacteria: Effect of missing hydroxylamine protection in malleobactin biosynthesis","journal":"Angewandte Chemie International Edition","year":2013,"volume":"52","issue":"32","pages":"8271-8275"},"origin_organism":{"id":2524,"type":"Bacterium","genus":"Burkholderia","species":"mallei","taxon":{"id":56,"name":"Burkholderia","rank":"genus","taxon_db":"lpsn","external_id":"515281","ncbi_id":32008,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":50,"name":"Betaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28216},{"id":51,"name":"Burkholderiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":80840},{"id":55,"name":"Burkholderiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":119060}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/anie.201303196","structure_smiles":"NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC/N=[N+](\\[O-])CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)[C@@H](O)C(=O)O)NC=O)[C@@H](O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000386"},{"external_db_name":"npmrd","external_db_code":"NP0011904"}],"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":"NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC\\N=[N+](/[O-])CCC[C@H](NC=O)C(=O)N[C@H]([C@@H](O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)NC=O)[C@@H](O)C(O)=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=AOKYZSLJEULWJU-KOSIIYQHSA-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","Allyl-type 1,3-dipolar organic compounds","Alpha amino acid amides","Alpha amino acids and derivatives","Alpha hydroxy acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives","Azoxy compounds","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Hydrocarbon derivatives","Hydroxamic acids","Hydroxy acids and derivatives","Lipids and lipid-like molecules","Monoalkylamines","Monosaccharides","N-acyl amines","N-acyl-alpha amino acids and derivatives","N-formyl-alpha amino acids","N-formyl-alpha amino acids and derivatives","Oligopeptides","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organic zwitterions","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Primary alcohols","Primary amines","Primary carboxylic acid amides","Secondary alcohols","Secondary carboxylic acid amides","Serine and derivatives"],"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 oligopeptides. 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