{"id":2819,"npaid":"NPA002819","original_name":"Zwittermicin A","mol_formula":"C13H28N6O8","mol_weight":"396.4010","exact_mass":"396.1969","inchikey":"FYIPKJHNWFVEIR-VTAUKWRXSA-N","smiles":"NC(=O)NC[C@H](NC(=O)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)C[C@@H](O)[C@@H](N)CO)C(N)=O","cluster_id":1635,"node_id":1340,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C13H28N6O8/c14-4(3-20)6(21)1-7(22)8(15)9(23)10(24)12(26)19-5(11(16)25)2-18-13(17)27/h4-10,20-24H,1-3,14-15H2,(H2,16,25)(H,19,26)(H3,17,18,27)/t4-,5-,6+,7+,8+,9+,10-/m0/s1","m_plus_h":"397.2042","m_plus_na":"419.1861","origin_reference":{"doi":"10.1016/s0040-4039(00)77154-1","pmid":null,"authors":"He, Haiyin; Silo-Suh, Laura A.; Handelsman, Jo; Clardy, Jon","title":"Zwittermicin A, an antifungal and plant protection agent from Bacillus cereus","journal":"Tetrahedron Letters","year":1994,"volume":"35","issue":"16","pages":"2499-2502"},"origin_organism":{"id":1807,"type":"Bacterium","genus":"Bacillus","species":"cereus (UW85)","taxon":{"id":379,"name":"Bacillus","rank":"genus","taxon_db":"lpsn","external_id":"515217","ncbi_id":1386,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":372,"name":"Firmicutes","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1239},{"id":373,"name":"Bacilli","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":91061},{"id":374,"name":"Bacillales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1385},{"id":377,"name":"Bacillaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":186817}]}},"syntheses":["10.1002/anie.200801561","10.1021/jo901007v"],"reassignments":[{"reference_doi":"10.1021/ol062804a","structure_smiles":"NC(=O)NC[C@H](NC(=O)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)C[C@@H](O)[C@@H](N)CO)C(N)=O"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1016/s0040-4039(00)77154-1","structure_smiles":"C(C([C@H]([C@H]([C@@H](C(=O)NC(CNC(=O)N)C(=O)N)O)O)N)O)C(C(CO)N)O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/ol062804a","structure_smiles":"NC(=O)NC[C@H](NC(=O)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)C[C@@H](O)[C@@H](N)CO)C(N)=O","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001059"},{"external_db_name":"npmrd","external_db_code":"NP0142572"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"NC(CO)C(O)CC(O)[C@@H](N)[C@@H](O)[C@H](O)C(=O)NC(CNC(N)=O)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=FYIPKJHNWFVEIR-WMNLMFOASA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002010","name":"Hybrid peptides","chemont_id":"CHEMONTID:0002010","description":"Compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond."},"ancestors":["1,2-aminoalcohols","1,3-aminoalcohols","Alcohols and polyols","Alkanolamines","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Gamma amino acids and derivatives","Hybrid peptides","Hydrocarbon derivatives","Lipids and lipid-like molecules","Monoalkylamines","Monosaccharides","N-acyl amines","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","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptidomimetics","Polyols","Primary alcohols","Primary amines","Primary carboxylic acid amides","Secondary alcohols","Secondary carboxylic acid amides","Ureas"],"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 hybrid peptides. 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