{"id":32837,"npaid":"NPA032837","original_name":"Variochelin B","mol_formula":"C49H87N11O17","mol_weight":"1102.2950","exact_mass":"1101.6281","inchikey":"KAFRRCNQGFIZFI-WKKVWVOWSA-N","smiles":"CCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)[C@H](O)C(=O)O","cluster_id":9488,"node_id":5296,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C49H87N11O17/c1-5-6-7-8-9-10-11-12-13-14-15-24-38(64)53-33(20-16-25-52-49(50)51)40(65)30(2)42(67)57-39(41(66)48(74)75)45(70)56-36(29-61)46(71)58-26-19-23-37(58)44(69)54-34(21-17-27-59(76)31(3)62)43(68)55-35(47(72)73)22-18-28-60(77)32(4)63/h30,33-37,39-41,61,65-66,76-77H,5-29H2,1-4H3,(H,53,64)(H,54,69)(H,55,68)(H,56,70)(H,57,67)(H,72,73)(H,74,75)(H4,50,51,52)/t30-,33-,34-,35-,36+,37-,39-,40-,41-/m0/s1","m_plus_h":"1102.6354","m_plus_na":"1124.6173","origin_reference":{"doi":"10.1021/acs.jnatprod.5b00932","pmid":27023373,"authors":"Kurth, Colette; Schieferdecker, Sebastian; Athanasopoulou, Kalliopi; Seccareccia, Ivana; Nett, Markus","title":"Variochelins, Lipopeptide Siderophores from Variovorax boronicumulans Discovered by Genome Mining","journal":"Journal of Natural Products","year":2016,"volume":"79","issue":"4","pages":"865-872"},"origin_organism":{"id":10646,"type":"Bacterium","genus":"Variovorax","species":"boronicumulans","taxon":{"id":69,"name":"Variovorax","rank":"genus","taxon_db":"lpsn","external_id":"516892","ncbi_id":34072,"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":64,"name":"Comamonadaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":80864}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.5b00932","structure_smiles":"CCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)[C@H](O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002417"}],"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":"CCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@H](O)C(O)=O)C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=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=KAFRRCNQGFIZFI-WKKVWVOWSA-N","subclass":null,"ancestors":["Acetamides","Acetohydroxamic acids","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Alpha hydroxy acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives","Azacyclic compounds","Branched fatty acids","Carbohydrates and carbohydrate conjugates","Carboximidamides","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","Guanidines","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxamic acids","Hydroxy acids and derivatives","Hydroxy fatty acids","Lipids and lipid-like molecules","Monosaccharides","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","Organic 1,3-dipolar compounds","Organic Polymers","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Polypeptides","Primary carboxylic acid amides","Proline and derivatives","Propargyl-type 1,3-dipolar organic compounds","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary alcohols","Serine and derivatives","Tertiary carboxylic acid 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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