{"id":8750,"npaid":"NPA008750","original_name":"Radiosumin","mol_formula":"C22H32N4O5","mol_weight":"432.5210","exact_mass":"432.2373","inchikey":"BZYYTAOQKTUZST-NRZWWCDRSA-N","smiles":"CC(=O)NC1CCC(=C[C@@H](C(=O)O)NC(=O)[C@H](/C=C/2\\CC[C@H](C=C2)N)NC(=O)C)CC1","cluster_id":3703,"node_id":2785,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H32N4O5/c1-13(27)24-18-9-5-16(6-10-18)12-20(22(30)31)26-21(29)19(25-14(2)28)11-15-3-7-17(23)8-4-15/h3,7,11-12,17-20H,4-6,8-10,23H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31)/b15-11-,16-12?/t17-,18?,19-,20-/m0/s1","m_plus_h":"433.2446","m_plus_na":"455.2265","origin_reference":{"doi":"10.1021/jo961130m","pmid":null,"authors":"Matsuda, Hisashi; Okino, Tatsufumi; Murakami, Masahiro; Yamaguchi, Katsumi","title":"Radiosumin, a Trypsin Inhibitor from the Blue-Green Alga Plectonema radiosum","journal":"Journal of Organic Chemistry","year":1996,"volume":"61","issue":"24","pages":"8648-8650"},"origin_organism":{"id":3702,"type":"Bacterium","genus":"Plectonema","species":"radiosum (NIES-515)","taxon":{"id":483,"name":"Plectonema","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1183,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":473,"name":"Oscillatoriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1150},{"id":474,"name":"Oscillatoriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892254}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jo961130m","structure_smiles":"CC(=O)NC1CCC(=C[C@@H](C(=O)O)NC(=O)[C@H](/C=C/2\\CC[C@H](C=C2)N)NC(=O)C)CC1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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(=O)N[C@@H](\\C=C1/CC[C@@H](N)C=C1)C(=O)N[C@@H](C=C1CCC(CC1)NC(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=BZYYTAOQKTUZST-NRZWWCDRSA-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":["Acetamides","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dipeptides","Hydrocarbon derivatives","Monoalkylamines","Monocarboxylic acids and derivatives","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","Peptides","Primary amines","Secondary carboxylic acid amides"],"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 dipeptides. 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