{"id":31062,"npaid":"NPA031062","original_name":"Woodybactin A","mol_formula":"C20H34N2O10","mol_weight":"462.4960","exact_mass":"462.2213","inchikey":"DHUKDCFKLDMWTQ-PVCZSOGJSA-N","smiles":"CCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O","cluster_id":2398,"node_id":1886,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H34N2O10/c1-2-3-4-5-6-10-16(24)22(32)11-8-7-9-14(18(27)28)21-15(23)12-20(31,19(29)30)13-17(25)26/h14,31-32H,2-13H2,1H3,(H,21,23)(H,25,26)(H,27,28)(H,29,30)/t14-,20?/m0/s1","m_plus_h":"463.2286","m_plus_na":"485.2105","origin_reference":{"doi":"10.1016/j.jinorgbio.2019.110736","pmid":31203087,"authors":"Carmichael, JR; Zhou, H; Butler, A","title":"A suite of asymmetric citrate siderophores isolated from a marine Shewanella species.","journal":"Journal of Inorganic Biochemistry","year":2019,"volume":"198","issue":null,"pages":"110736"},"origin_organism":{"id":10325,"type":"Bacterium","genus":"Shewanella","species":"woodyi MS32","taxon":{"id":131,"name":"Shewanella","rank":"genus","taxon_db":"lpsn","external_id":"516592","ncbi_id":22,"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":124,"name":"Alteromonadales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":135622},{"id":130,"name":"Shewanellaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":267890}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.jinorgbio.2019.110736","structure_smiles":"CCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002469"}],"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":"CCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(O)=O)C(O)=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=DHUKDCFKLDMWTQ-PVCZSOGJSA-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","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lipids and lipid-like molecules","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Tertiary alcohols","Tricarboxylic acids 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 n-acyl-l-alpha-amino acids. 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