{"id":32966,"npaid":"NPA032966","original_name":"Goadvionin A4","mol_formula":"C62H110N11O16S+","mol_weight":"1297.6900","exact_mass":"1296.7847","inchikey":"BNBNHIYAIOZSDG-NLYLIZQGSA-O","smiles":"C/C=C1/NC(=O)C(NC(=O)[C@H](C)NC(=O)C(C)C(O)CCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCCC[N+](C)(C)C)CC2(CS/C=C\\NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC2=O)NC(=O)[C@H](C(C)C)NC1=O","cluster_id":9513,"node_id":6367,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C62H109N11O16S/c1-9-46-57(85)71-53(38(2)3)60(88)72-62(37-90-29-27-65-56(84)47(34-51(63)80)68-58(86)48(35-52(64)81)70-61(62)89)36-49(59(87)67-46)69-55(83)40(5)66-54(82)39(4)50(79)26-21-19-17-15-13-11-10-12-14-16-18-20-24-41(74)30-43(76)32-45(78)33-44(77)31-42(75)25-22-23-28-73(6,7)8/h9,27,29,38-45,47-50,53,74-79H,10-26,28,30-37H2,1-8H3,(H11-,63,64,65,66,67,68,69,70,71,72,80,81,82,83,84,85,86,87,88,89)/p+1/b29-27-,46-9+/t39?,40-,41?,42?,43?,44?,45?,47-,48-,49?,50?,53-,62?/m0/s1","m_plus_h":"1297.7920","m_plus_na":"1319.7739","origin_reference":{"doi":"10.1038/s41557-020-0508-2","pmid":32719482,"authors":"Kozakai, Ryosuke; Ono, Takuto; Hoshino, Shotaro; Takahashi, Hidenori; Katsuyama, Yohei; Sugai, Yoshinori; Ozaki, Taro; Teramoto, Kazuya; Teramoto, Kanae; Tanaka, Koichi; Abe, Ikuro; Asamizu, Shumpei; Onaka, Hiroyasu","title":"Acyltransferase that catalyses the condensation of polyketide and peptide moieties of goadvionin hybrid lipopeptides","journal":"Nature Chemistry","year":2020,"volume":"12","issue":"9","pages":"869-877"},"origin_organism":{"id":4597,"type":"Bacterium","genus":"Streptomyces","species":"sp. TP-A0584","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/s41557-020-0508-2","structure_smiles":"C/C=C1/NC(=O)C(NC(=O)[C@H](C)NC(=O)C(C)C(O)CCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)CCCC[N+](C)(C)C)CC2(CS/C=C\\NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC2=O)NC(=O)[C@H](C(C)C)NC1=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":null}