{"id":20628,"npaid":"NPA020628","original_name":"Mersacidin","mol_formula":"C80H120N20O21S4","mol_weight":"1826.2270","exact_mass":"1824.7820","inchikey":"JSWKNDSDVHJUKY-LCUIJRPUSA-N","smiles":"CCC(C)C1C(=O)N/C=C\\SC(C2C(=O)NC(=C)C(=O)NC(C(=O)NC(CSC(C(C(=O)NC(C(=O)N2)CC(C)C)NC(=O)C3CSC(C(C(=O)NC(C(=O)N4CCCC4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N3)C(C)C)CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6C(SCC(C(=O)N6)N)C)C)C)C(=O)N1)CCC(=O)O)C","cluster_id":6479,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C80H120N20O21S4/c1-14-40(8)61-74(115)82-24-26-122-42(10)62-76(117)87-41(9)66(107)88-48(22-23-59(105)106)68(109)92-52(71(112)95-61)35-124-44(12)64(78(119)89-49(27-37(2)3)69(110)97-62)99-72(113)53-36-125-45(13)65(98-70(111)50(29-46-19-16-15-17-20-46)90-77(118)63-43(11)123-34-47(81)67(108)96-63)79(120)91-51(28-38(4)5)80(121)100-25-18-21-54(100)73(114)86-32-57(103)84-30-55(101)83-31-56(102)85-33-58(104)94-60(39(6)7)75(116)93-53/h15-17,19-20,24,26,37-40,42-45,47-54,60-65H,9,14,18,21-23,25,27-36,81H2,1-8,10-13H3,(H,82,115)(H,83,101)(H,84,103)(H,85,102)(H,86,114)(H,87,117)(H,88,107)(H,89,119)(H,90,118)(H,91,120)(H,92,109)(H,93,116)(H,94,104)(H,95,112)(H,96,108)(H,97,110)(H,98,111)(H,99,113)(H,105,106)/b26-24-","m_plus_h":"1825.7893","m_plus_na":"1847.7712","origin_reference":{"doi":"10.7164/antibiotics.45.832","pmid":1500347,"authors":"Chatterjee S; Chatterjee S; Lad SJ; Phansalkar MS; Rupp RH; Ganguli BN; Fehlhaber HW; Kogler H","title":"Mersacidin, a new antibiotic from Bacillus. Fermentation, isolation, purification and chemical characterization.","journal":"Journal of Antibiotics","year":1992,"volume":"45","issue":"6","pages":"832-838"},"origin_organism":{"id":5885,"type":"Bacterium","genus":"Bacillus","species":"sp. HIL Y-85,54728","taxon":{"id":379,"name":"Bacillus","rank":"genus","taxon_db":"lpsn","external_id":"515217","ncbi_id":1386,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":372,"name":"Firmicutes","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1239},{"id":373,"name":"Bacilli","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":91061},{"id":374,"name":"Bacillales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1385},{"id":377,"name":"Bacillaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":186817}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.45.832","structure_smiles":"CCC(C)C1C(=O)N/C=C\\SC(C2C(=O)NC(=C)C(=O)NC(C(=O)NC(CSC(C(C(=O)NC(C(=O)N2)CC(C)C)NC(=O)C3CSC(C(C(=O)NC(C(=O)N4CCCC4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N3)C(C)C)CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6C(SCC(C(=O)N6)N)C)C)C)C(=O)N1)CCC(=O)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005171"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003298","name":"Polypeptides","chemont_id":"CHEMONTID:0003298","description":"Peptides containing ten or more amino acid residues."},"smiles":"CCC(C)C1NC(=O)C2CSC(C)C(NC(=O)C3CSC(C)C(NC(=O)C(Cc4ccccc4)NC(=O)C4NC(=O)C(N)CSC4C)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)N3)C(=O)NC(CC(C)C)C(=O)NC(C(C)S\\C=C/NC1=O)C(=O)NC(=C)C(=O)NC(CCC(O)=O)C(=O)N2","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=JSWKNDSDVHJUKY-LCUIJRPUSA-N","subclass":null,"ancestors":["Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic peptides","Dialkylthioethers","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lactams","Lipids and lipid-like molecules","Macrolactams","Monoalkylamines","Monocarboxylic acids and derivatives","N-acyl-alpha amino acids and derivatives","Organic Polymers","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Peptides","Phenethylamines","Phenylalanine and derivatives","Phenylpropanoids and polyketides","Polypeptides","Primary amines","Pyrrolidines","Secondary carboxylic acid amides","Tertiary carboxylic acid amides","Thioenol ethers","Thioethers"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003297","name":"Organic Polymers","chemont_id":"CHEMONTID:0003297","description":"Organic compounds, generally large molecules or macromolecules, which are composed of many repeating units."},"description":"This compound belongs to the class of organic compounds known as polypeptides. 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