{"id":33557,"npaid":"NPA033557","original_name":"Amycolatomycin A","mol_formula":"C41H50Cl2N8O9","mol_weight":"869.8040","exact_mass":"868.3078","inchikey":"HBIPRXPUUKAVEZ-VANMHSFDSA-N","smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC2=C(Cl)[NH]C3=C2C=CC(Cl)=C3)NC(=O)[C@@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC1=O","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C41H50Cl2N8O9/c1-5-20(4)34-41(60)46-27(12-13-32(53)54)36(55)49-31(18-52)39(58)50-33(19(2)3)40(59)48-29(14-21-17-44-26-9-7-6-8-23(21)26)37(56)47-30(38(57)51-34)16-25-24-11-10-22(42)15-28(24)45-35(25)43/h6-11,15,17,19-20,27,29-31,33-34,44-45,52H,5,12-14,16,18H2,1-4H3,(H,46,60)(H,47,56)(H,48,59)(H,49,55)(H,50,58)(H,51,57)(H,53,54)/t20-,27+,29+,30+,31-,33+,34-/m0/s1","m_plus_h":"869.3151","m_plus_na":"891.2970","origin_reference":{"doi":"10.3390/antibiotics10030261","pmid":33807584,"authors":"Primahana, Gian; Risdian, Chandra; Mozef, Tjandrawati; Wink, Joachim; Surup, Frank; Stadler, Marc","title":"Amycolatomycins A and B, Cyclic Hexapeptides Isolated from an Amycolatopsis sp. 195334CR.","journal":"Antibiotics","year":2021,"volume":"10","issue":"3","pages":"261"},"origin_organism":{"id":1100,"type":"Bacterium","genus":"Amycolatopsis","species":"sp.","taxon":{"id":232,"name":"Amycolatopsis","rank":"genus","taxon_db":"lpsn","external_id":"515111","ncbi_id":1813,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":224,"name":"Pseudonocardiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85010},{"id":225,"name":"Pseudonocardiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2070}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/antibiotics10030261","structure_smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC2=C(Cl)[NH]C3=C2C=CC(Cl)=C3)NC(=O)[C@@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC1=O","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](CC2=C(Cl)NC3=C2C=CC(Cl)=C3)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(O)=O)NC1=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=HBIPRXPUUKAVEZ-VANMHSFDSA-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","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzenoids","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Cyclic peptides","Dialkylamines","Fatty Acyls","Fatty amides","Glutamic acid and derivatives","Haloalkenes","Heteroaromatic compounds","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Isoleucine and derivatives","Lactams","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl-alpha amino acids and derivatives","Oligopeptides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Pyrroles","Pyrrolines","Secondary amines","Serine and derivatives","Substituted pyrroles","Tryptamines and derivatives","Valine and derivatives","Vinyl chlorides","Vinyl halides"],"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 oligopeptides. 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