{"id":9841,"npaid":"NPA009841","original_name":"Balgacyclamide B","mol_formula":"C25H38N6O6S","mol_weight":"550.6820","exact_mass":"550.2574","inchikey":"XRULOHJFZLNAKT-VODSQIEYSA-N","smiles":"CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N1)C(C)C)[C@@H](C)O)C","cluster_id":1021,"node_id":880,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H38N6O6S/c1-8-11(4)17-25-27-15(9-38-25)21(34)26-12(5)20(33)30-18(13(6)32)22(35)28-16(10(2)3)24-31-19(14(7)37-24)23(36)29-17/h9-14,16-19,32H,8H2,1-7H3,(H,26,34)(H,28,35)(H,29,36)(H,30,33)/t11-,12+,13+,14+,16-,17+,18-,19-/m0/s1","m_plus_h":"551.2647","m_plus_na":"573.2466","origin_reference":{"doi":"10.1021/np400814w","pmid":24392715,"authors":"Portmann C; Sieber S; Wirthensohn S; Blom JF; Da Silva L; Baudat E; Kaiser M; Brun R; Gademann K","title":"Balgacyclamides, antiplasmodial heterocyclic peptides from Microcystis aeruguinosa EAWAG 251.","journal":"Journal of Natural Products","year":2014,"volume":"77","issue":"3","pages":"557-562"},"origin_organism":{"id":3963,"type":"Bacterium","genus":"Microcystis","species":"aeruguinosa EAWAG 251 T","taxon":{"id":472,"name":"Microcystis","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1125,"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":466,"name":"Chroococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1118},{"id":471,"name":"Microcystaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1890449}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np400814w","structure_smiles":"CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N1)C(C)C)[C@@H](C)O)C","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[C@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)C2=CSC1=N2)[C@@H](C)O)C(C)C","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=XRULOHJFZLNAKT-VODSQIEYSA-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-heteroaryl carboxamides","Alcohols and polyols","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azoles","Azolines","Carbonyl compounds","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic peptides","Dipeptides","Heteroaromatic compounds","Hydrocarbon derivatives","Imidoesters","Lactams","Macrolactams","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","Oxacyclic compounds","Oxazolines","Peptides","Phenylpropanoids and polyketides","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Secondary carboxylic acid amides","Thiazolecarboxylic acids and derivatives","Thiazoles"],"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 cyclic peptides. 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