{"id":20421,"npaid":"NPA020421","original_name":"A-54145 A1","mol_formula":"C72H109N17O27","mol_weight":"1644.7560","exact_mass":"1643.7679","inchikey":"FHVNZVVZQZCWNH-VLTLAPJDSA-N","smiles":"O=C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CCC(O)=O)NC([C@@H](CC(N)=O)NC(CNC([C@H]([C@@H](OC)C(O)=O)NC([C@@H](CCCCN)NC([C@H](CC(O)=O)NC([C@H](C)NC(CN(C)C1=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@@H](O)C(N)=O)=O)CCC(O)=O)=O)CC2=CNC3=CC=CC=C32)CCCCCCCCC","cluster_id":225,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C72H109N17O27/c1-8-10-11-12-13-14-15-23-48(91)79-44(29-38-32-76-40-21-17-16-20-39(38)40)65(106)82-43(25-27-52(96)97)64(105)87-56(58(100)60(75)101)69(110)86-55-37(5)116-72(114)54(35(3)9-2)85-63(104)42(24-26-51(94)95)83-66(107)45(30-47(74)90)80-49(92)33-77-68(109)57(59(115-7)71(112)113)88-62(103)41(22-18-19-28-73)81-67(108)46(31-53(98)99)84-61(102)36(4)78-50(93)34-89(6)70(55)111/h16-17,20-21,32,35-37,41-46,54-59,76,100H,8-15,18-19,22-31,33-34,73H2,1-7H3,(H2,74,90)(H2,75,101)(H,77,109)(H,78,93)(H,79,91)(H,80,92)(H,81,108)(H,82,106)(H,83,107)(H,84,102)(H,85,104)(H,86,110)(H,87,105)(H,88,103)(H,94,95)(H,96,97)(H,98,99)(H,112,113)/t35-,36-,37+,41+,42-,43+,44-,45+,46-,54-,55-,56-,57-,58+,59+/m0/s1","m_plus_h":"1644.7752","m_plus_na":"1666.7571","origin_reference":{"doi":"10.7164/antibiotics.43.594","pmid":2380107,"authors":"Fukuda, DS; Du Bus, RH; Baker, PJ; Berry, DM; Mynderse, JS","title":"A54145, a new lipopeptide antibiotic complex: isolation and characterization","journal":"Journal of Antibiotics","year":1990,"volume":"43","issue":"6","pages":"564-600"},"origin_organism":{"id":1136,"type":"Bacterium","genus":"Streptomyces","species":"fradiae","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":"10.7164/antibiotics.43.594","structure_smiles":"O=C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CCC(O)=O)NC([C@@H](CC(N)=O)NC(CNC([C@H]([C@@H](OC)C(O)=O)NC([C@@H](CCCCN)NC([C@H](CC(O)=O)NC([C@H](C)NC(CN(C)C1=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@@H](O)C(N)=O)=O)CCC(O)=O)=O)CC2=CNC3=CC=CC=C32)CCCCCCCCC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000291"},{"external_db_name":"npmrd","external_db_code":"NP0011876"}],"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":"[H][C@](C)(CC)[C@]1([H])N=C(O)[C@]([H])(CCC(O)=O)N=C(O)[C@@]([H])(CC(O)=N)N=C(O)CN=C(O)[C@@]([H])(N=C(O)[C@@]([H])(CCCCN)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(C)N=C(O)CN(C)C(=O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(CCC(O)=O)N=C(O)[C@]([H])(CC2=CNC3=CC=CC=C23)N=C(O)CCCCCCCCC)[C@@]([H])(O)C(O)=N)[C@@]([H])(C)OC1=O)[C@@]([H])(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=FHVNZVVZQZCWNH-VLTLAPJDSA-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":["3-alkylindoles","Alcohols and polyols","Alpha amino acid esters","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzenoids","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic depsipeptides","Depsipeptides","Dialkyl ethers","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Lactams","Lactones","Macrolactams","Macrolides and analogues","Monoalkylamines","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","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Pentacarboxylic acids and derivatives","Peptidomimetics","Phenylpropanoids and polyketides","Polyols","Primary amines","Propargyl-type 1,3-dipolar organic compounds","Pyrroles","Secondary alcohols","Substituted pyrroles","Tertiary carboxylic acid 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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