{"id":32063,"npaid":"NPA032063","original_name":"Cittilin B","mol_formula":"C33H36N4O8","mol_weight":"616.6710","exact_mass":"616.2533","inchikey":"LRYMXYNLAMRRTH-CIWZQKDMSA-N","smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)CC2=CC(=C(O)C=C2)C2=C(O)C3=CC(=C2)C[C@H](NC1=O)C(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)O3","cluster_id":1690,"node_id":1380,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C33H36N4O8/c1-3-16(2)28-32(42)35-24-14-19-11-22(21-10-18(6-9-26(21)38)12-23(34)30(40)37-28)29(39)27(15-19)45-20-7-4-17(5-8-20)13-25(33(43)44)36-31(24)41/h4-11,15-16,23-25,28,38-39H,3,12-14,34H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t16-,23-,24-,25-,28-/m0/s1","m_plus_h":"617.2606","m_plus_na":"639.2425","origin_reference":{"doi":"10.1021/acschembio.0c00430","pmid":32639716,"authors":"Hug, Joachim J; Dastbaz, Jan; Adam, Sebastian; Revermann, Ole; Koehnke, Jesko; Krug, Daniel; Müller, Rolf","title":"Biosynthesis of Cittilins, Unusual Ribosomally Synthesized and Post-translationally Modified Peptides from Myxococcus xanthus.","journal":"ACS Chemical Biology","year":2020,"volume":"15","issue":"8","pages":"2221-2231"},"origin_organism":{"id":10532,"type":"Bacterium","genus":"Myxococcus","species":"xanthus DK1622","taxon":{"id":185,"name":"Myxococcus","rank":"genus","taxon_db":"lpsn","external_id":"516145","ncbi_id":32,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":168,"name":"Deltaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28221},{"id":169,"name":"Myxococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":29},{"id":183,"name":"Myxococcaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":31}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acschembio.0c00430","structure_smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)CC2=CC(=C(O)C=C2)C2=C(O)C3=CC(=C2)C[C@H](NC1=O)C(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)O3","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002043"}],"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":"CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)CC2=CC(=C(O)C=C2)C2=CC3=CC(OC4=CC=C(C[C@H](NC(=O)[C@H](C3)NC1=O)C(O)=O)C=C4)=C2O","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=LRYMXYNLAMRRTH-CIWZQKDMSA-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","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Aralkylamines","Azacyclic compounds","Benzenoids","Branched fatty acids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic peptides","Diarylethers","Ethers","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxy fatty acids","Isoleucine and derivatives","Lactams","Lignans, neolignans and related compounds","Lipids and lipid-like molecules","Macrolactams","Monoalkylamines","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Oligopeptides","Organic Polymers","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptides","Phenols","Phenylpropanoids and polyketides","Polypeptides","Primary amines","Secondary carboxylic acid amides"],"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 oligopeptides. 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