{"id":1421,"npaid":"NPA001421","original_name":"Linocin M18","mol_formula":"C91H146N24O27S","mol_weight":"2040.3770","exact_mass":"2039.0510","inchikey":"GZNURBUEENTXCG-UHFFFAOYSA-N","smiles":"CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C3CCCN3C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N","cluster_id":931,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C91H146N24O27S/c1-14-46(7)71(89(140)115-36-18-21-63(115)85(136)98-43-68(119)113-34-17-22-64(113)86(137)101-49(10)74(125)99-48(9)73(124)100-50(11)75(126)103-57(29-31-70(122)123)79(130)112-72(90(141)142)47(8)15-2)111-87(138)65-23-19-35-114(65)88(139)51(12)102-80(131)58(38-44(3)4)107-78(129)56(28-30-69(120)121)105-77(128)55(20-16-33-97-91(95)96)104-82(133)60(40-52-24-26-53(116)27-25-52)109-81(132)59(39-45(5)6)108-84(135)62(42-67(94)118)110-83(134)61(41-66(93)117)106-76(127)54(92)32-37-143-13/h24-27,44-51,54-65,71-72,116H,14-23,28-43,92H2,1-13H3,(H2,93,117)(H2,94,118)(H,98,136)(H,99,125)(H,100,124)(H,101,137)(H,102,131)(H,103,126)(H,104,133)(H,105,128)(H,106,127)(H,107,129)(H,108,135)(H,109,132)(H,110,134)(H,111,138)(H,112,130)(H,120,121)(H,122,123)(H,141,142)(H4,95,96,97)","m_plus_h":"2040.0583","m_plus_na":"2062.0402","origin_reference":{"doi":"10.5281/zenodo.3541168","pmid":7986050,"authors":"Valdés-Stauber, N; Scherer, S","title":"Isolation and characterization of Linocin M18, a bacteriocin produced by Brevibacterium linens","journal":"Applied and Environmental Microbiology","year":1994,"volume":"60","issue":"10","pages":"3809-3814"},"origin_organism":{"id":1054,"type":"Bacterium","genus":"Brevibacterium","species":"linens","taxon":{"id":293,"name":"Brevibacterium","rank":"genus","taxon_db":"lpsn","external_id":"515270","ncbi_id":1696,"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":285,"name":"Micrococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85006},{"id":292,"name":"Brevibacteriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":85019}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.5281/zenodo.3541168","structure_smiles":"CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C3CCCN3C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0022595"}],"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(CCC(O)=O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(N)CCSC)C(C)CC)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=GZNURBUEENTXCG-UHFFFAOYSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alanine and derivatives","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Arginine and derivatives","Asparagine and derivatives","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Fatty Acyls","Fatty amides","Glutamic acid and derivatives","Guanidines","Hydrocarbon derivatives","Imines","Isoleucine and derivatives","Leucine and derivatives","Lipids and lipid-like molecules","Methionine and derivatives","Monoalkylamines","N-acyl amines","N-acyl-alpha amino acids","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","Phenols","Phenylalanine and derivatives","Polypeptides","Primary amines","Primary carboxylic acid amides","Proline and derivatives","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary carboxylic acid amides","Sulfenyl compounds","Tertiary carboxylic acid amides","Thioethers","Tricarboxylic acids and derivatives","Tyrosine 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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