{"id":12512,"npaid":"NPA012512","original_name":"Plantaricin W","mol_formula":"C75H131N25O21S","mol_weight":"1751.0940","exact_mass":"1749.9672","inchikey":"KAYJBPCHVFSMSY-UHFFFAOYSA-N","smiles":"CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(N)CCSC)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C=O","cluster_id":353,"node_id":318,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C75H131N25O21S/c1-10-38(4)57(71(119)88-39(5)60(108)94-53(34-56(80)107)69(117)95-51(32-43-21-23-45(105)24-22-43)68(116)89-44(35-101)31-37(2)3)98-61(109)40(6)87-67(115)52(33-55(79)106)96-65(113)47(17-11-13-26-76)90-63(111)49(19-15-28-85-74(81)82)91-64(112)50(20-16-29-86-75(83)84)92-70(118)54(36-102)97-73(121)59(42(8)104)100-66(114)48(18-12-14-27-77)93-72(120)58(41(7)103)99-62(110)46(78)25-30-122-9/h21-24,35,37-42,44,46-54,57-59,102-105H,10-20,25-34,36,76-78H2,1-9H3,(H2,79,106)(H2,80,107)(H,87,115)(H,88,119)(H,89,116)(H,90,111)(H,91,112)(H,92,118)(H,93,120)(H,94,108)(H,95,117)(H,96,113)(H,97,121)(H,98,109)(H,99,110)(H,100,114)(H4,81,82,85)(H4,83,84,86)","m_plus_h":"1750.9745","m_plus_na":"1772.9564","origin_reference":{"doi":"10.1099/00221287-147-3-643","pmid":11238971,"authors":"Holo, Helge; Jeknic, Zoran; Stevanovic, Stefan; Daeschel, Mark; Nes, Ingolf F.","title":"Plantaricin W from Lactobacillus plantarum belongs to a new family of two-peptide lantibiotics","journal":"Microbiology","year":2001,"volume":"147","issue":"3","pages":"643-651"},"origin_organism":{"id":3801,"type":"Bacterium","genus":"Lactobacillus","species":"plantarum","taxon":{"id":399,"name":"Lactobacillus","rank":"genus","taxon_db":"lpsn","external_id":"517058","ncbi_id":1578,"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":398,"name":"Lactobacillaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":33958}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1099/00221287-147-3-643","structure_smiles":"CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(N)CCSC)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003627"}],"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(C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(N)CCSC)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C=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=KAYJBPCHVFSMSY-UHFFFAOYSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alanine and derivatives","Alcohols and polyols","Aldehydes","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Arginine and derivatives","Asparagine and derivatives","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Fatty Acyls","Fatty amides","Guanidines","Hydrocarbon derivatives","Imines","Isoleucine 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 alcohols","Secondary carboxylic acid amides","Serine and derivatives","Sulfenyl compounds","Thioethers","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. These are peptides containing ten or more amino acid residues.","substituents":["Polypeptide","Alpha peptide","Tyrosine or derivatives","Arginine or derivatives","Phenylalanine or derivatives","Methionine or derivatives","Asparagine or derivatives","Isoleucine or derivatives","N-acyl-alpha amino acid or derivatives","Alpha-amino acid amide","Serine or derivatives","Alanine or derivatives","Alpha-amino acid or derivatives","Amphetamine or derivatives","N-substituted-alpha-amino acid","1-hydroxy-2-unsubstituted benzenoid","Phenol","N-acyl-amine","Fatty amide","Fatty acyl","Monocyclic benzene moiety","Benzenoid","Secondary alcohol","Primary carboxylic acid amide","Amino acid or derivatives","Carboxamide group","Guanidine","Secondary carboxylic acid amide","Dialkylthioether","Thioether","Carboximidamide","Sulfenyl compound","Carboxylic acid derivative","Alcohol","Primary aliphatic amine","Imine","Organonitrogen compound","Organooxygen compound","Organosulfur compound","Primary alcohol","Carbonyl group","Primary amine","Hydrocarbon derivative","Organic oxide","Amine","Organopnictogen compound","Organic oxygen compound","Organic nitrogen compound","Aldehyde","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 derivative 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heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001189","name":"N-acyl-alpha amino acids and derivatives","chemont_id":"CHEMONTID:0001189","description":"Compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004316","name":"Serine and derivatives","chemont_id":"CHEMONTID:0004316","description":"Compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002309","name":"Alpha amino acid amides","chemont_id":"CHEMONTID:0002309","description":"Amide derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004314","name":"Alanine and derivatives","chemont_id":"CHEMONTID:0004314","description":"Compounds containing alanine or a 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