{"id":12286,"npaid":"NPA012286","original_name":"Cypemycin","mol_formula":"C99H154N24O24S","mol_weight":"2096.5320","exact_mass":"2095.1289","inchikey":"TYVRUMCYJWCOOO-RKEGDLLCSA-N","smiles":"CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)N/C(=C\\C)/C(=O)NC(C(C)CC)C(=O)NC1CS/C=C\\NC(=O)C(NC(=O)C(NC1=O)CC(C)C)C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)/C(=C/C)/NC(=O)C3CCCN3C(=O)/C(=C\\C)/NC(=O)C(C)NC(=O)C4CCCN4C(=O)/C(=C\\C)/NC(=O)C(C)N(C)C","cluster_id":4635,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C99H154N24O24S/c1-22-54(15)78(97(145)115-69-49-148-44-41-102-93(141)75(51(9)10)116-87(135)66(45-50(7)8)113-90(69)138)119-85(133)60(24-3)107-89(137)68(48-124)106-74(127)47-103-83(131)64(37-39-72(100)125)112-96(144)79(55(16)23-2)120-95(143)77(53(13)14)118-88(136)67(46-59-33-29-28-30-34-59)114-86(134)65(38-40-73(101)126)111-81(129)57(18)105-94(142)76(52(11)12)117-84(132)61(25-4)108-92(140)71-36-32-43-123(71)98(146)62(26-5)109-80(128)56(17)104-91(139)70-35-31-42-122(70)99(147)63(27-6)110-82(130)58(19)121(20)21/h24-30,33-34,41,44,50-58,64-71,75-79,124H,22-23,31-32,35-40,42-43,45-49H2,1-21H3,(H2,100,125)(H2,101,126)(H,102,141)(H,103,131)(H,104,139)(H,105,142)(H,106,127)(H,107,137)(H,108,140)(H,109,128)(H,110,130)(H,111,129)(H,112,144)(H,113,138)(H,114,134)(H,115,145)(H,116,135)(H,117,132)(H,118,136)(H,119,133)(H,120,143)/b44-41-,60-24-,61-25-,62-26+,63-27+","m_plus_h":"2096.1362","m_plus_na":"2118.1181","origin_reference":{"doi":"10.7164/antibiotics.46.1666","pmid":7802859,"authors":"KOMIYAMA, KANKI; OTOGURO, KAZUHIKO; SEGAWA, TOSHIAKI; SHIOMI, KAZURO; YANG, HONG; TAKAHASHI, YOKO; HAYASHI, MASAHIKO; OXANI, TOSHIO; OMURA, SATOSHI","title":"A new antibiotic, cypemycin. Taxonomy, fermentation, isolation and biological characteristics","journal":"Journal of Antibiotics","year":1993,"volume":"46","issue":"11","pages":"1666-1671"},"origin_organism":{"id":4446,"type":"Bacterium","genus":"Streptomyces","species":"sp. OH-4156","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"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":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.46.1666","structure_smiles":"CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)N/C(=C\\C)/C(=O)NC(C(C)CC)C(=O)NC1CS/C=C\\NC(=O)C(NC(=O)C(NC1=O)CC(C)C)C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)/C(=C/C)/NC(=O)C3CCCN3C(=O)/C(=C\\C)/NC(=O)C(C)NC(=O)C4CCCN4C(=O)/C(=C\\C)/NC(=O)C(C)N(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000582"},{"external_db_name":"npmrd","external_db_code":"NP0022505"}],"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)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(NC(=O)C(\\NC(=O)C1CCCN1C(=O)C(\\NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(\\NC(=O)C(C)N(C)C)=C/C)=C/C)=C\\C)C(C)C)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(CO)C(=O)N\\C(=C/C)C(=O)NC(C(C)CC)C(=O)NC1CS\\C=C/NC(=O)C(NC(=O)C(CC(C)C)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=TYVRUMCYJWCOOO-RKEGDLLCSA-N","subclass":null,"ancestors":["Alanine and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","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 and derivatives","Chemical entities","Cyclic peptides","Fatty Acyls","Fatty amides","Glutamine and derivatives","Hydrocarbon derivatives","Isoleucine and derivatives","Lactams","Lipids and lipid-like molecules","Macrolactams","N-acyl amines","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","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 alcohols","Primary carboxylic acid amides","Proline and derivatives","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary carboxylic acid amides","Serine and derivatives","Tertiary amines","Tertiary carboxylic acid amides","Thioenol ethers","Thioethers","Trialkylamines","Valine and derivatives"],"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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