{"id":33506,"npaid":"NPA033506","original_name":"Chitinimide A","mol_formula":"C41H57N11O11S2","mol_weight":"944.1070","exact_mass":"943.3680","inchikey":"BCMYHBTYINFPDE-OLAIZJASSA-N","smiles":"CC=C(NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)N[C@@H](CO)C(=O)NC(=CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C1=NC(C(=O)N[C@@H](CCSC)C(=O)OC)=CS1","cluster_id":7772,"node_id":5298,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C41H57N11O11S2/c1-5-24(45-34(56)29(21-53)48-33(55)25(6-2)50-41(62)51-28(38(59)60)20-23-12-8-7-9-13-23)32(54)46-26(14-10-17-44-40(42)43)37(58)52-18-11-15-31(52)36-49-30(22-65-36)35(57)47-27(16-19-64-4)39(61)63-3/h5-9,12-13,22,26-29,31,53H,10-11,14-21H2,1-4H3,(H,45,56)(H,46,54)(H,47,57)(H,48,55)(H,59,60)(H4,42,43,44)(H2,50,51,62)/t26-,27-,28-,29-,31-/m0/s1","m_plus_h":"944.3753","m_plus_na":"966.3572","origin_reference":{"doi":"10.1038/s41467-021-24645-0","pmid":34301933,"authors":"Liu, Jiaqi; Zhou, Haibo; Yang, Zhiyu; Wang, Xue; Chen, Hanna; Zhong, Lin; Zheng, Wentao; Niu, Weijing; Wang, Sen; Ren, Xiangmei; Zhong, Guannan; Wang, Yan; Ding, Xiaoming; Müller, Rolf; Zhang, Youming; Bian, Xiaoying","title":"Rational construction of genome-reduced Burkholderiales chassis facilitates efficient heterologous production of natural products from proteobacteria","journal":"Nature Communications","year":2021,"volume":"12","issue":"1","pages":"4347"},"origin_organism":{"id":10825,"type":"Bacterium","genus":"Chitinimonas","species":"koreensis DSM 17726","taxon":{"id":1941,"name":"Chitinimonas","rank":"genus","taxon_db":"lpsn","external_id":"515358","ncbi_id":null,"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":"10.1038/s41467-021-24645-0","structure_smiles":"CC=C(NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)N[C@@H](CO)C(=O)NC(=CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C1=NC(C(=O)N[C@@H](CCSC)C(=O)OC)=CS1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002503"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003298","name":"Polypeptides","chemont_id":"CHEMONTID:0003298","description":"Peptides containing ten or more amino acid residues."},"smiles":"COC(=O)[C@H](CCSC)NC(=O)C1=CSC(=N1)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)C(NC(=O)[C@H](CO)NC(=O)C(NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)=CC)=CC","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=BCMYHBTYINFPDE-OLAIZJASSA-N","subclass":null,"ancestors":["2,4-disubstituted thiazoles","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","Amphetamines and derivatives","Azacyclic compounds","Azoles","Benzene and substituted derivatives","Benzenoids","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylthioethers","Dicarboxylic acids and derivatives","Fatty Acyls","Fatty acid esters","Fatty amides","Guanidines","Heteroaromatic compounds","Hydrocarbon derivatives","Imidothioesters","Imidothioic acids and derivatives","Lipids and lipid-like molecules","Methionine and derivatives","Methyl esters","N-acyl amines","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","N-carbamoyl-alpha amino acids","N-carbamoyl-alpha amino acids and derivatives","Organic 1,3-dipolar compounds","Organic Polymers","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","Peptides","Phenethylamines","Phenylalanine and derivatives","Polypeptides","Propargyl-type 1,3-dipolar organic compounds","Pyrrolidines","Serine and derivatives","Sulfenyl compounds","Tertiary carboxylic acid amides","Thiazolecarboxamides","Thiazolecarboxylic acids and derivatives","Thiazoles","Thioethers"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003297","name":"Organic Polymers","chemont_id":"CHEMONTID:0003297","description":"Organic compounds, generally large molecules or macromolecules, which are composed of many repeating units."},"description":"This compound belongs to the class of organic compounds known as polypeptides. 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