{"id":28885,"npaid":"NPA028885","original_name":"Balgacyclamide C","mol_formula":"C28H36N6O6S","mol_weight":"584.6990","exact_mass":"584.2417","inchikey":"QKBDCVSHWVPQHK-UGLXWSDTSA-N","smiles":"CC[C@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)C2=CSC1=N2","cluster_id":1021,"node_id":880,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H36N6O6S/c1-5-14(2)21-28-31-19(13-41-28)24(37)29-12-20(36)32-22(15(3)35)25(38)30-18(11-17-9-7-6-8-10-17)27-34-23(16(4)40-27)26(39)33-21/h6-10,13-16,18,21-23,35H,5,11-12H2,1-4H3,(H,29,37)(H,30,38)(H,32,36)(H,33,39)/t14-,15+,16+,18-,21+,22-,23-/m0/s1","m_plus_h":"585.2490","m_plus_na":"607.2309","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":3692,"type":"Bacterium","genus":"Microcystis","species":"aeruginosa EAWAG 251","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]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)C2=CSC1=N2","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":"CCC(C)C1N=C(O)C2N=C(OC2C)C(CC2=CC=CC=C2)N=C(O)C(N=C(O)CN=C(O)C2=CSC1=N2)C(C)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=QKBDCVSHWVPQHK-UHFFFAOYSA-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, peptides, and analogues","Azacyclic compounds","Azoles","Azolines","Benzene and substituted derivatives","Benzenoids","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic peptides","Heteroaromatic compounds","Hydrocarbon derivatives","Imidoesters","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazolines","Peptides","Polyols","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","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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