{"id":33056,"npaid":"NPA033056","original_name":"Bolagladin B","mol_formula":"C40H63N5O14","mol_weight":"837.9650","exact_mass":"837.4372","inchikey":"BPAWMVDVEWZKAP-GQZVVMBSSA-N","smiles":"CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)/C=C/NC(=O)/C=C\\CCCCCCC/C=C\\CCCCC(CC(=O)O)(OC)C(=O)O)COC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC1=O","cluster_id":9532,"node_id":6382,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C40H63N5O14/c1-4-27(2)34-37(54)43-28(20-23-46)35(52)44-29(25-47)38(55)59-26-30(36(53)45-34)42-32(49)19-22-41-31(48)18-16-14-12-10-8-6-5-7-9-11-13-15-17-21-40(58-3,39(56)57)24-33(50)51/h9,11,16,18-19,22,27-30,34,46-47H,4-8,10,12-15,17,20-21,23-26H2,1-3H3,(H,41,48)(H,42,49)(H,43,54)(H,44,52)(H,45,53)(H,50,51)(H,56,57)/b11-9-,18-16-,22-19+/t27-,28+,29+,30+,34-,40?/m1/s1","m_plus_h":"838.4445","m_plus_na":"860.4264","origin_reference":{"doi":"10.1002/ange.202009110","pmid":null,"authors":"Dashti, Yousef; Nakou, Ioanna T.; Mullins, Alex J.; Webster, Gordon; Jian, Xinyun; Mahenthiralingam, Eshwar; Challis, Gregory L.","title":"Discovery and Biosynthesis of Bolagladins: Unusual Lipodepsipeptides from Burkholderia gladioli Clinical Isolates**.","journal":"Angewandte Chemie","year":2020,"volume":"132","issue":"48","pages":"21737-21745"},"origin_organism":{"id":7563,"type":"Bacterium","genus":"Burkholderia","species":"gladioli BCC0238","taxon":{"id":56,"name":"Burkholderia","rank":"genus","taxon_db":"lpsn","external_id":"515281","ncbi_id":32008,"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":50,"name":"Betaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28216},{"id":51,"name":"Burkholderiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":80840},{"id":55,"name":"Burkholderiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":119060}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/ange.202009110","structure_smiles":"CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)/C=C/NC(=O)/C=C\\CCCCCCC/C=C\\CCCCC(CC(=O)O)(OC)C(=O)O)COC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC1=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002327"},{"external_db_name":"mibig","external_db_code":"BGC0002335"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"CC[C@@H](C)[C@H]1NC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC1=O)NC(=O)\\C=C\\NC(=O)\\C=C/CCCCCCC\\C=C/CCCCC(CC(O)=O)(OC)C(O)=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=BPAWMVDVEWZKAP-GQZVVMBSSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["Acrylic acids and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Beta hydroxy acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic depsipeptides","Depsipeptides","Dialkyl ethers","Ethers","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Hydroxy acids and derivatives","Isoleucine and derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","Macrolide lactams","N-acyl amines","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptidomimetics","Phenylpropanoids and polyketides","Serine and derivatives","Tricarboxylic acids and derivatives","Vinylogous 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 cyclic depsipeptides. 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