{"id":28620,"npaid":"NPA028620","original_name":"Gaburedin D","mol_formula":"C10H18N2O5","mol_weight":"246.2630","exact_mass":"246.1216","inchikey":"JQVXLSFKKPJRTC-QMMMGPOBSA-N","smiles":"CC(C)[C@H](NC(=O)NCCCC(=O)O)C(=O)O","cluster_id":8556,"node_id":5791,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C10H18N2O5/c1-6(2)8(9(15)16)12-10(17)11-5-3-4-7(13)14/h6,8H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H2,11,12,17)/t8-/m0/s1","m_plus_h":"247.1289","m_plus_na":"269.1108","origin_reference":{"doi":"10.1039/c3sc52536h","pmid":null,"authors":"John D. Sidda, Lijiang Song, Vincent Poon, Mahmoud Al-Bassam, Orestis Lazos, Mark J. Buttner, Gregory L. Challisa, Christophe Corre","title":"Discovery of a family of γ-aminobutyrate ureas via rational derepression of a silent bacterial gene cluster","journal":"Chemical Science","year":2014,"volume":"5","issue":null,"pages":"86-89"},"origin_organism":{"id":9950,"type":"Bacterium","genus":"Streptomyces","species":"venezuelae ATCC 10712","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1039/c3sc52536h","structure_smiles":"CC(C)[C@H](NC(=O)NCCCC(=O)O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002578"},{"external_db_name":"npmrd","external_db_code":"NP0304984"}],"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":"CC(C)[C@H](NC(O)=NCCCC(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=LONZXPSSYXJXOI-QMMMGPOBSA-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","Amino acids and derivatives","Amino acids, peptides, and analogues","Branched fatty acids","Carbonyl compounds","Carbonyl hydrates","Carboximidamides","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty acids and conjugates","Gamma amino acids and derivatives","Hydrocarbon derivatives","Hydroxy fatty acids","Isoureas","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Propargyl-type 1,3-dipolar organic compounds"],"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 gamma amino acids and derivatives. 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