{"id":1035,"npaid":"NPA001035","original_name":"Ambactin","mol_formula":"C38H54N8O8","mol_weight":"750.8980","exact_mass":"750.4065","inchikey":"HMXRHVCZYGEXRQ-JYMVZIKVSA-N","smiles":"CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CCC(=O)N)CO)CCCCN)CC3=CC=CC=C3","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C38H54N8O8/c1-23(2)19-28-35(51)45-29(20-24-11-5-3-6-12-24)36(52)41-26(15-9-10-18-39)33(49)46-31(22-47)38(54)42-27(16-17-32(40)48)34(50)44-30(37(53)43-28)21-25-13-7-4-8-14-25/h3-8,11-14,23,26-31,47H,9-10,15-22,39H2,1-2H3,(H2,40,48)(H,41,52)(H,42,54)(H,43,53)(H,44,50)(H,45,51)(H,46,49)/t26-,27-,28-,29+,30+,31+/m0/s1","m_plus_h":"751.4138","m_plus_na":"773.3957","origin_reference":{"doi":"10.1002/cbic.201402065","pmid":24816640,"authors":"Schimming, Olivia; Fleischhacker, Florian; Nollmann, Friederike I.; Bode, Helge B.","title":"Yeast homologous recombination cloning leading to the novel peptides ambactin and xenolindicin","journal":"ChemBioChem","year":2014,"volume":"15","issue":"9","pages":"1290-1294"},"origin_organism":{"id":812,"type":"Bacterium","genus":"Xenorhabdus","species":"sp.","taxon":{"id":105,"name":"Xenorhabdus","rank":"genus","taxon_db":"lpsn","external_id":"516934","ncbi_id":626,"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":79,"name":"Gammaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":1236},{"id":87,"name":"Enterobacterales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":91347},{"id":102,"name":"Morganellaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1903414}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/cbic.201402065","structure_smiles":"CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CCC(=O)N)CO)CCCCN)CC3=CC=CC=C3","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001131"},{"external_db_name":"npmrd","external_db_code":"NP0012806"}],"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@]1(CO)N=C(O)[C@]([H])(CCCCN)N=C(O)[C@@]([H])(CC2=CC=CC=C2)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]([H])(CC2=CC=CC=C2)N=C(O)[C@]([H])(CCC(O)=N)N=C1O","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=HMXRHVCZYGEXRQ-JYMVZIKVSA-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":["Alcohols and polyols","Amines","Amino acids, peptides, and analogues","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic peptides","Hydrocarbon derivatives","Monoalkylamines","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Polyols","Primary alcohols","Primary amines","Propargyl-type 1,3-dipolar organic compounds"],"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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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000469","name":"Monoalkylamines","chemont_id":"CHEMONTID:0000469","description":"Organic compounds containing an primary aliphatic amine group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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