{"id":10873,"npaid":"NPA010873","original_name":"Enterolysin A","mol_formula":"C75H137N17O19S","mol_weight":"1613.0880","exact_mass":"1611.9997","inchikey":"BVAJGKKEPGGEID-GPPRCLEMSA-N","smiles":"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O","cluster_id":353,"node_id":318,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C75H137N17O19S/c1-20-43(16)59(90-68(103)52(33-55(78)95)82-64(99)47(25-23-24-27-76)80-62(97)46(77)26-28-112-19)73(108)85-50(31-39(8)9)65(100)81-49(30-38(6)7)66(101)86-53(35-93)69(104)91-60(44(17)21-2)72(107)83-48(29-37(4)5)63(98)79-34-56(96)88-57(41(12)13)71(106)84-51(32-40(10)11)67(102)87-54(36-94)70(105)92-61(45(18)22-3)74(109)89-58(42(14)15)75(110)111/h37-54,57-61,93-94H,20-36,76-77H2,1-19H3,(H2,78,95)(H,79,98)(H,80,97)(H,81,100)(H,82,99)(H,83,107)(H,84,106)(H,85,108)(H,86,101)(H,87,102)(H,88,96)(H,89,109)(H,90,103)(H,91,104)(H,92,105)(H,110,111)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-,61-/m0/s1","m_plus_h":"1613.0070","m_plus_na":"1634.9889","origin_reference":{"doi":"10.1128/aem.69.5.2975-2984.2003","pmid":12732574,"authors":"Nilsen, T.; Nes, I. F.; Holo, H.","title":"Enterolysin A, a Cell Wall-Degrading Bacteriocin from Enterococcus faecalis LMG 2333","journal":"Applied and Environmental Microbiology","year":2003,"volume":"69","issue":"5","pages":"2975-2984"},"origin_organism":{"id":3651,"type":"Bacterium","genus":"Enterococcus","species":"faecalis","taxon":{"id":397,"name":"Enterococcus","rank":"genus","taxon_db":"lpsn","external_id":"517033","ncbi_id":1350,"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":393,"name":"Lactobacillales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":186826},{"id":396,"name":"Enterococcaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":81852}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1128/aem.69.5.2975-2984.2003","structure_smiles":"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0004598"}],"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":"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=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=BVAJGKKEPGGEID-GPPRCLEMSA-N","subclass":null,"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","Asparagine and derivatives","Branched fatty acids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Hydrocarbon derivatives","Hydroxy fatty acids","Isoleucine and derivatives","Leucine and derivatives","Lipids and lipid-like molecules","Methionine and derivatives","Methyl-branched fatty acids","Monoalkylamines","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic Polymers","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Peptides","Polypeptides","Primary alcohols","Primary amines","Primary carboxylic acid amides","Secondary carboxylic acid amides","Serine and derivatives","Sulfenyl compounds","Thioethers","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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