{"id":33086,"npaid":"NPA033086","original_name":"Azotobactin delta","mol_formula":"C55H76N16O27","mol_weight":"1393.2980","exact_mass":"1392.5066","inchikey":"WGOVZMUSMHDYFQ-KUSJVTOFSA-N","smiles":"CC(=O)N(O)CCC[C@@H](NC(=O)[C@H](CCO)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)C1CCN2C(=O)[NH]C3=C2N1C1=CC(=O)C(O)=CC1=C3)[C@@H](O)C(=O)O)C(=O)N[C@H]1CCOC1=O","cluster_id":9542,"node_id":6388,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C55H76N16O27/c1-23(76)70(97)11-3-5-26(44(85)63-29-9-15-98-53(29)94)59-45(86)28(8-14-73)62-43(84)25(4-2-10-57-54(56)95)60-48(89)33(22-75)66-50(91)40(41(82)52(92)93)68-38(79)20-58-42(83)27(7-13-72)61-47(88)32(21-74)65-46(87)30(18-39(80)81)64-49(90)34-6-12-69-51-31(67-55(69)96)16-24-17-36(77)37(78)19-35(24)71(34)51/h16-17,19,25-30,32-34,40-41,72-75,77,82,97H,2-15,18,20-22H2,1H3,(H,58,83)(H,59,86)(H,60,89)(H,61,88)(H,62,84)(H,63,85)(H,64,90)(H,65,87)(H,66,91)(H,67,96)(H,68,79)(H,80,81)(H,92,93)(H3,56,57,95)/t25-,26-,27+,28+,29+,30+,32-,33+,34?,40-,41-/m1/s1","m_plus_h":"1393.5139","m_plus_na":"1415.4958","origin_reference":{"doi":"10.1021/bi00408a014","pmid":null,"authors":"Demange, Pascal; Bateman, Andrew; Dell, Anne; Abdallah, Mohamed A.","title":"Structure of azotobactin D, a siderophore of Azotobacter vinelandii strain D (CCM 289).","journal":"Biochemistry","year":1988,"volume":"27","issue":"8","pages":"2745-2752"},"origin_organism":{"id":10707,"type":"Bacterium","genus":"Azotobacter","species":"vinelandii CCM 289","taxon":{"id":85,"name":"Azotobacter","rank":"genus","taxon_db":"lpsn","external_id":"516974","ncbi_id":352,"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":79,"name":"Gammaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":1236},{"id":80,"name":"Pseudomonadales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":72274},{"id":84,"name":"Pseudomonadaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":135621}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/bi00408a014","structure_smiles":"CC(=O)N(O)CCC[C@@H](NC(=O)[C@H](CCO)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)C1CCN2C(=O)[NH]C3=C2N1C1=CC(=O)C(O)=CC1=C3)[C@@H](O)C(=O)O)C(=O)N[C@H]1CCOC1=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002433"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003298","name":"Polypeptides","chemont_id":"CHEMONTID:0003298","description":"Peptides containing ten or more amino acid residues."},"smiles":"CC(=O)N(O)CCC[C@@H](NC(=O)[C@H](CCO)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)C1CCN2C(=O)NC3=C2N1C1=CC(=O)C(O)=CC1=C3)[C@@H](O)C(O)=O)C(=O)N[C@H]1CCOC1=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=WGOVZMUSMHDYFQ-KUSJVTOFSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Acetamides","Acetohydroxamic acids","Acryloyl compounds","Acyl homoserine lactones","Acyl-L-homoserine lactones","Alcohols and polyols","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Alpha hydroxy acids and derivatives","Alpha,beta-unsaturated carbonyl compounds","Alpha,beta-unsaturated ketones","Alpha-branched alpha,beta-unsaturated ketones","Alpha-hydroxy ketones","Amino acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives","Azacyclic compounds","Azoles","Azolines","Benzenoids","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Diazinanes","Dihydropyridines","Enones","Fatty Acyls","Fatty amides","Gamma butyrolactones","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyridines","Hydroxamic acids","Hydroxy acids and derivatives","Hydroxypyridines","Hydroxyquinolines","Imidazoles","Imidazolines","Imidazopyridines","Ketones","Lactones","Lipids and lipid-like molecules","Methylpyridines","Monosaccharides","N-acyl amines","N-acyl-alpha amino acids and derivatives","N-substituted imidazoles","Organic Polymers","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","P-quinomethanes","Peptides","Phenols","Polypeptides","Primary carboxylic acid amides","Pyridines and derivatives","Quinolines and derivatives","Quinomethanes","Secondary alcohols","Serine and derivatives","Substituted imidazoles","Tetrahydrofurans","Tricarboxylic acids and derivatives","Vinylogous amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003297","name":"Organic Polymers","chemont_id":"CHEMONTID:0003297","description":"Organic compounds, generally large molecules or macromolecules, which are composed of many repeating units."},"description":"This compound belongs to the class of organic compounds known as polypeptides. 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Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. 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