{"id":33053,"npaid":"NPA033053","original_name":"Cutimycin","mol_formula":"C51H50N14O15S","mol_weight":"1131.1110","exact_mass":"1130.3301","inchikey":"JEVSPJYINMJRET-KFSKHFNISA-N","smiles":"C=C(NC(=O)C(=C)NC(=O)C1=NC2=C(C=C1)C1=NC(=CS1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C\\C)C1=NC(=C(C)O1)C(=O)NC(=C)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C1=NC(=C(C)O1)C(=O)NC(=C)C(=O)NC(=C)C1=NC2=CO1)C(=O)O","cluster_id":275,"node_id":249,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C51H50N14O15S/c1-13-29-49-65-36(27(12)80-49)46(75)54-21(6)40(69)62-33(18(2)3)43(72)56-23(8)48-64-35(26(11)79-48)45(74)53-20(5)38(67)55-22(7)47-60-31(16-78-47)37-28(50-61-32(17-81-50)42(71)63-34(25(10)66)44(73)59-29)14-15-30(58-37)41(70)52-19(4)39(68)57-24(9)51(76)77/h13-18,25,33-34,66H,4-9H2,1-3,10-12H3,(H,52,70)(H,53,74)(H,54,75)(H,55,67)(H,56,72)(H,57,68)(H,59,73)(H,62,69)(H,63,71)(H,76,77)/b29-13-/t25-,33+,34+/m1/s1","m_plus_h":"1131.3374","m_plus_na":"1153.3193","origin_reference":{"doi":"10.1126/scitranslmed.aay5445","pmid":null,"authors":"Claesen, J., Spagnolo, J. B., Ramos, S. F., Kurita, K. L., Byrd, A. L., Aksenov, A. A., Melnik, A. V., Wong, W. R., Wang, S., Hernandez, R. D., Donia, M. S., Dorrestein, P. C., Kong, H. H., Segre, J. A., Linington, R. G., Fischbach, M. A., & Lemon, K. P.","title":"A Cutibacterium acnes antibiotic modulates human skin microbiota composition in hair follicles","journal":"Science Translational Medicine","year":2020,"volume":"12","issue":"570","pages":"eaay5445"},"origin_organism":{"id":10696,"type":"Bacterium","genus":"Cutibacterium","species":"acnes","taxon":{"id":1934,"name":"Cutibacterium","rank":"genus","taxon_db":"lpsn","external_id":"519072","ncbi_id":null,"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":258,"name":"Propionibacteriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85009},{"id":265,"name":"Propionibacteriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":31957}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1126/scitranslmed.aay5445","structure_smiles":"C=C(NC(=O)C(=C)NC(=O)C1=NC2=C(C=C1)C1=NC(=CS1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C\\C)C1=NC(=C(C)O1)C(=O)NC(=C)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C1=NC(=C(C)O1)C(=O)NC(=C)C(=O)NC(=C)C1=NC2=CO1)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002311"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000839963%Propimycin%3"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"[H]\\C(C)=C1\\N=C(O)[C@@]([H])(N=C(O)C2=CSC(=N2)C2=C(N=C(C=C2)C(=O)NC(=C)C(O)=NC(=C)C(O)=O)C2=COC(=N2)C(=C)N=C(O)C(=C)N=C(O)C2=C(C)OC(=N2)C(=C)N=C(O)[C@@]([H])(N=C(O)C(=C)N=C(O)C2=C(C)OC1=N2)C(C)C)[C@@]([H])(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=JEVSPJYINMJRET-KFSKHFNISA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["2-heteroaryl carboxamides","Alcohols and polyols","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azoles","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic peptides","Heteroaromatic compounds","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazoles","Peptides","Polyols","Propargyl-type 1,3-dipolar organic compounds","Pyridinecarboxylic acids and derivatives","Pyridines and derivatives","Secondary alcohols","Secondary carboxylic acid amides","Thiazoles"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as cyclic peptides. 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They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. 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