{"id":1634,"npaid":"NPA001634","original_name":"Micacocidin","mol_formula":"C27H39N3O4S3","mol_weight":"565.8270","exact_mass":"565.2103","inchikey":"GGWOUCUSNYVHOC-QJKBBIFYSA-N","smiles":"CCCCCC1=C(C2=N[C@@H]([C@H]3SC[C@@H]([C@@H](O)C(C)(C)C4=N[C@@](C)(C(=O)O)CS4)N3C)CS2)C(O)=CC=C1","cluster_id":1053,"node_id":907,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H39N3O4S3/c1-6-7-8-10-16-11-9-12-19(31)20(16)22-28-17(13-35-22)23-30(5)18(14-36-23)21(32)26(2,3)24-29-27(4,15-37-24)25(33)34/h9,11-12,17-18,21,23,31-32H,6-8,10,13-15H2,1-5H3,(H,33,34)/t17-,18+,21-,23-,27-/m1/s1","m_plus_h":"566.2176","m_plus_na":"588.1995","origin_reference":{"doi":"10.7164/antibiotics.53.532","pmid":10908118,"authors":"Kobayashi S, Ikenishi Y, Takinami Y, Takema M, Sun WY, Ino A, Hayase Y","title":"Preparation and antimicrobial activity of micacocidin","journal":"Journal of Antibiotics","year":2000,"volume":"53","issue":"5","pages":"532-539"},"origin_organism":{"id":1180,"type":"Bacterium","genus":"Pseudomonas","species":"sp. (No. 57-250)","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":"10.7164/antibiotics.53.532","structure_smiles":"CCCCCC1=C(C2=N[C@@H]([C@H]3SC[C@@H]([C@@H](O)C(C)(C)C4=N[C@@](C)(C(=O)O)CS4)N3C)CS2)C(O)=CC=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001014"},{"external_db_name":"npmrd","external_db_code":"NP0003352"},{"external_db_name":"npmrd","external_db_code":"NP0317871"}],"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":"CCCCCc1cccc(O)c1C1=NC(CS1)C1SCC(C(O)C(C)(C)C2=NC(C)(CS2)C(O)=O)N1C","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=GGWOUCUSNYVHOC-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":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Alcohols and polyols","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azolidines","Azolines","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Hydrocarbon derivatives","Imidothioesters","Imidothiolactones","Monocarboxylic acids and derivatives","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","Phenols","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Thiazolidines","Thiazolines","Thioethers","Thiohemiaminal derivatives"],"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 alpha amino acids and derivatives. 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They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. 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