{"id":24706,"npaid":"NPA024706","original_name":"Mureidomycin B","mol_formula":"C38H50N8O12S","mol_weight":"842.9290","exact_mass":"842.3269","inchikey":"DXBJHRPKFQGVGZ-XGYRZULNSA-N","smiles":"CC([C@H](C(=O)N/C=C/1\\CC(C(O1)N2CCC(=O)NC2=O)O)NC(=O)[C@H](CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)N","cluster_id":854,"node_id":739,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C38H50N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-9,14-15,19-20,26-29,31,35,47-49H,10-13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19+/t20?,26-,27-,28?,29?,31+,35?/m0/s1","m_plus_h":"843.3342","m_plus_na":"865.3161","origin_reference":{"doi":"10.7164/antibiotics.42.667","pmid":2498274,"authors":"Isono F; Inukai M; Takahashi S; Haneishi T; Kinoshita T; Kuwano H","title":"Mureidomycins A-D, novel peptidylnucleoside antibiotics with spheroplast forming activity. II. Structural elucidation.","journal":"Journal of Antibiotics","year":1989,"volume":"42","issue":"5","pages":"667-673"},"origin_organism":{"id":8758,"type":"Bacterium","genus":"Streptomyces","species":"flavidovirens","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"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":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.42.667","structure_smiles":"CC([C@H](C(=O)N/C=C/1\\CC(C(O1)N2CCC(=O)NC2=O)O)NC(=O)[C@H](CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000950"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000075009%Mureidomycin B%2"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009965699%Suspect related to Mureidomycin B (predicted molecular formula: C52H50N8O7) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012125902%Suspect related to Mureidomycin B (predicted molecular formula SIRIUS: C52H50N8O7 / BUDDY: C48H58N4O11S) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H) [M+H]+%4"},{"external_db_name":"npmrd","external_db_code":"NP0013005"}],"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":"CSCC[C@H](NC(=O)NC(CC1=CC(O)=CC=C1)C(O)=O)C(=O)N[C@H](C(C)N(C)C(=O)[C@@H](N)CC1=CC(O)=CC=C1)C(=O)N\\C=C1/CC(O)C(O1)N1CCC(=O)NC1=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=DXBJHRPKFQGVGZ-XGYRZULNSA-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":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-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","Aralkylamines","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid imides","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Diazinanes","Diazines","Dicarboximides","Dipeptides","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lipids and lipid-like molecules","Methionine and derivatives","Monoalkylamines","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl ureas","N-acyl-alpha amino acids and derivatives","N-carbamoyl-alpha amino acids","N-carbamoyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Oxacyclic compounds","Peptides","Phenethylamines","Phenols","Phenylalanine and derivatives","Phenylpropanoic acids","Phenylpropanoids and polyketides","Primary amines","Pyrimidines and pyrimidine derivatives","Pyrimidones","Secondary alcohols","Secondary carboxylic acid amides","Sulfenyl compounds","Tertiary carboxylic acid amides","Tetrahydrofurans","Thioethers","Ureas","Ureides"],"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 dipeptides. 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