{"id":25674,"npaid":"NPA025674","original_name":"Vatiamide E","mol_formula":"C25H40ClN3O3","mol_weight":"466.0660","exact_mass":"465.2758","inchikey":"ZLFSNAGNVUVFPM-MZKRTTBSSA-N","smiles":"C#CCCCC(=CCl)CC[C@@H](C)C=CCCC(=O)N[C@H](C)C(=O)N(C)[C@H](C(N)=O)C(C)C","cluster_id":7764,"node_id":5292,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H40ClN3O3/c1-7-8-9-13-21(17-26)16-15-19(4)12-10-11-14-22(30)28-20(5)25(32)29(6)23(18(2)3)24(27)31/h1,10,12,17-20,23H,8-9,11,13-16H2,2-6H3,(H2,27,31)(H,28,30)/t19-,20+,23-/m0/s1","m_plus_h":"466.2831","m_plus_na":"488.2650","origin_reference":{"doi":"10.1002/anie.201902571","pmid":31071229,"authors":"Moss, Nathan A.; Seiler, Grant; Leão, Tiago F.; Castro-Falcón, Gabriel; Gerwick, Lena; Hughes, Chambers C.; Gerwick, William H.","title":"Nature's Combinatorial Biosynthesis Produces Vatiamides A–F","journal":"Angewandte Chemie International Edition","year":2019,"volume":"58","issue":"27","pages":"9027-9031"},"origin_organism":{"id":9386,"type":"Bacterium","genus":"Moorea","species":"producens ASI6Jul14-2","taxon":{"id":479,"name":"Moorea","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1155738,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":473,"name":"Oscillatoriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1150},{"id":474,"name":"Oscillatoriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892254}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/anie.201902571","structure_smiles":"C#CCCCC(=CCl)CC[C@@H](C)C=CCCC(=O)N[C@H](C)C(=O)N(C)[C@H](C(N)=O)C(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002296"},{"external_db_name":"npmrd","external_db_code":"NP0019723"}],"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)[C@H](N(C)C(=O)[C@@H](C)N=C(O)CCC=C[C@H](C)CCC(CCCC#C)=CCl)C(O)=N","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=ZLFSNAGNVUVFPM-MZKRTTBSSA-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":["Acetylides","Alanine and derivatives","Alpha amino acid amides","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Haloalkenes","Hydrocarbon derivatives","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","Organochlorides","Organohalogen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Propargyl-type 1,3-dipolar organic compounds","Tertiary carboxylic acid amides","Vinyl chlorides","Vinyl halides"],"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 n-acyl-alpha amino acids and derivatives. 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