{"id":25695,"npaid":"NPA025695","original_name":"Pseudotetratide A","mol_formula":"C21H33N7O5S2","mol_weight":"527.6730","exact_mass":"527.1985","inchikey":"AFLLGKMKWFZARJ-DZKIICNBSA-N","smiles":"CSCC[C@H](NC(=O)C1=CSC([C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(C)=O)=N1)C(=O)O","cluster_id":7772,"node_id":5298,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C21H33N7O5S2/c1-12(29)25-13(5-3-8-24-21(22)23)19(31)28-9-4-6-16(28)18-27-15(11-35-18)17(30)26-14(20(32)33)7-10-34-2/h11,13-14,16H,3-10H2,1-2H3,(H,25,29)(H,26,30)(H,32,33)(H4,22,23,24)/t13-,14-,16-/m0/s1","m_plus_h":"528.2058","m_plus_na":"550.1877","origin_reference":{"doi":"10.1002/anie.201910563","pmid":31693786,"authors":"Bode, Edna; Heinrich, Antje K.; Hirschmann, Merle; Abebew, Desalegne; Shi, Yan-Ni; Vo, Tien Duy; Wesche, Frank; Shi, Yi-Ming; Grün, Peter; Simonyi, Svenja; Keller, Nadine; Engel, Yvonne; Wenski, Sebastian; Bennet, Reuel; Beyer, Sophie; Bischoff, Iris; Buaya, Anthony; Brandt, Sophie; Cakmak, Ibrahim; Çimen, Harun; Eckstein, Simone; Frank, Denia; Fürst, Robert; Gand, Martin; Geisslinger, Gerd; Hazir, Selcuk; Henke, Marina; Heermann, Ralf; Lecaudey, Virginie; Schäfer, Wilhelm; Schiffmann, Susanne; Schüffler, Anja; Schwenk, Rebecca; Skaljac, Marisa; Thines, Eckhard; Thines, Marco; Ulshöfer, Thomas; Vilcinskas, Andreas; Wichelhaus, Thomas A.; Bode, Helge B.","title":"Promoter Activation in Δhfq Mutants as an Efficient Tool for Specialized Metabolite Production Enabling Direct Bioactivity Testing","journal":"Angewandte Chemie International Edition","year":2019,"volume":"58","issue":"52","pages":"18957-18963"},"origin_organism":{"id":9390,"type":"Bacterium","genus":"Pseudomonas","species":"entomophila L48","taxon":{"id":86,"name":"Pseudomonas","rank":"genus","taxon_db":"lpsn","external_id":"517405","ncbi_id":286,"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":"10.1002/anie.201910563","structure_smiles":"CSCC[C@H](NC(=O)C1=CSC([C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(C)=O)=N1)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020790"}],"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":"[H][C@@](CCSC)(N=C(O)C1=CSC(=N1)[C@]1([H])CCCN1C(=O)[C@]([H])(CCCNC(N)=N)N=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=AFLLGKMKWFZARJ-DZKIICNBSA-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":["2,4-disubstituted thiazoles","Alpha amino acid amides","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azoles","Carbonyl compounds","Carboximidamides","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Fatty Acyls","Fatty acids and conjugates","Guanidines","Heteroaromatic compounds","Hydrocarbon derivatives","Imines","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Propargyl-type 1,3-dipolar organic compounds","Pyrrolidines","Sulfenyl compounds","Tertiary carboxylic acid amides","Thia fatty acids","Thiazoles","Thioethers"],"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-alpha amino acids. 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