{"id":8260,"npaid":"NPA008260","original_name":"Piscicolin-61","mol_formula":"C63H101N19O25S","mol_weight":"1556.6760","exact_mass":"1555.6937","inchikey":"QCFJNSVYJRNPNK-UHFFFAOYSA-N","smiles":"CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(O)=O)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(N)=O","cluster_id":353,"node_id":318,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C63H101N19O25S/c1-29(2)18-37(52(68)96)76-61(105)42(27-84)81-60(104)41(26-83)73-47(90)24-69-54(98)34(8-6-7-16-64)72-46(89)23-70-55(99)38(19-31-9-11-32(86)12-10-31)77-59(103)39(21-45(67)88)79-63(107)51(30(3)4)82-48(91)25-71-56(100)40(22-50(94)95)78-62(106)43(28-85)80-58(102)36(15-17-108-5)75-57(101)35(13-14-44(66)87)74-53(97)33(65)20-49(92)93/h9-12,29-30,33-43,51,83-86H,6-8,13-28,64-65H2,1-5H3,(H2,66,87)(H2,67,88)(H2,68,96)(H,69,98)(H,70,99)(H,71,100)(H,72,89)(H,73,90)(H,74,97)(H,75,101)(H,76,105)(H,77,103)(H,78,106)(H,79,107)(H,80,102)(H,81,104)(H,82,91)(H,92,93)(H,94,95)","m_plus_h":"1556.7010","m_plus_na":"1578.6829","origin_reference":{"doi":"10.1007/bf01575750","pmid":7764997,"authors":"Holck, A L; Axelsson, L; Schillinger, U","title":"Purification and cloning of piscicolin 61, a bacteriocin from Carnobacterium piscicola LV61","journal":"Current Microbiology","year":1994,"volume":"29","issue":"2","pages":"63-68"},"origin_organism":{"id":3605,"type":"Bacterium","genus":"Carnobacterium","species":"piscicola LV61","taxon":{"id":395,"name":"Carnobacterium","rank":"genus","taxon_db":"lpsn","external_id":"515313","ncbi_id":2747,"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":394,"name":"Carnobacteriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":186828}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1007/bf01575750","structure_smiles":"CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(O)=O)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(N)=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0022464"}],"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":"CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(O)=O)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(N)=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=QCFJNSVYJRNPNK-UHFFFAOYSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Asparagine and derivatives","Aspartic acid and derivatives","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Dicarboxylic acids and derivatives","Fatty Acyls","Fatty amides","Glutamine and derivatives","Hydrocarbon derivatives","Leucine and derivatives","Lipids and lipid-like molecules","Methionine and derivatives","Monoalkylamines","N-acyl amines","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","Phenethylamines","Phenols","Phenylalanine and derivatives","Polypeptides","Primary alcohols","Primary amines","Primary carboxylic acid amides","Secondary carboxylic acid amides","Serine and derivatives","Sulfenyl compounds","Thioethers","Tyrosine and derivatives","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. These are peptides containing ten or more amino acid residues.","substituents":["Polypeptide","Alpha peptide","Tyrosine or derivatives","Phenylalanine or derivatives","Glutamine or derivatives","Methionine or derivatives","Leucine or derivatives","Aspartic acid or derivatives","Asparagine or derivatives","N-acyl-alpha amino acid or derivatives","Valine or derivatives","Alpha-amino acid amide","Serine or derivatives","N-substituted-alpha-amino acid","Alpha-amino acid or derivatives","Amphetamine or derivatives","1-hydroxy-2-unsubstituted benzenoid","Phenol","Fatty acyl","Monocyclic benzene moiety","Benzenoid","Dicarboxylic acid or derivatives","Fatty amide","N-acyl-amine","Carboxamide group","Secondary carboxylic acid amide","Primary carboxylic acid amide","Amino acid or derivatives","Amino acid","Dialkylthioether","Sulfenyl compound","Carboxylic acid derivative","Carboxylic acid","Thioether","Primary amine","Amine","Organopnictogen compound","Organic oxygen compound","Organic nitrogen compound","Carbonyl group","Alcohol","Hydrocarbon derivative","Organic oxide","Primary aliphatic amine","Primary alcohol","Organosulfur compound","Organonitrogen compound","Organooxygen compound","Aromatic homomonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003298","name":"Polypeptides","chemont_id":"CHEMONTID:0003298","description":"Peptides containing ten or more amino acid residues."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000348","name":"Peptides","chemont_id":"CHEMONTID:0000348","description":"Compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004319","name":"Tyrosine and derivatives","chemont_id":"CHEMONTID:0004319","description":"Compounds containing tyrosine or a 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RC(=O)NH2."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004176","name":"Amino acids","chemont_id":"CHEMONTID:0004176","description":"Organic compounds that contain at least one carboxyl group and one amino group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003260","name":"Sulfenyl compounds","chemont_id":"CHEMONTID:0003260","description":"Organosulfur compounds a sulfenyl group with the general formula RS (R = organyl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001205","name":"Carboxylic acids","chemont_id":"CHEMONTID:0001205","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003862","name":"Dialkylthioethers","chemont_id":"CHEMONTID:0003862","description":"Organosulfur compounds containing a thioether group that is substituted by two alkyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl 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