{"id":18275,"npaid":"NPA018275","original_name":"Humidimycin","mol_formula":"C98H132N22O27S4","mol_weight":"2178.5290","exact_mass":"2176.8515","inchikey":"KEGZLFHRZXUETN-KUYIIAQISA-N","smiles":"CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H]2CSSC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H]3CSSC[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(C)C)NC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3)C)CC4=CC=CC=C4)NC(=O)[C@@H](NC2=O)CC(=O)O)CC5=CC=C(C=C5)O)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC8=CC=CC=C8N7)C(=O)O)CO","cluster_id":4876,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C98H132N22O27S4/c1-11-50(7)80-95(143)102-41-75(125)107-68(43-121)91(139)116-71-46-150-151-47-72(94(142)112-64(33-55-23-17-14-18-24-55)88(136)115-67(98(146)147)36-58-35-57-25-19-20-26-60(57)105-58)117-96(144)79(49(5)6)119-97(145)81(51(8)12-2)120-83(131)53(10)104-86(134)62(34-56-27-29-59(122)30-28-56)106-74(124)40-101-85(133)69-44-148-149-45-70(92(140)110-61(31-48(3)4)84(132)100-42-77(127)118-80)108-73(123)37-65(113-90(138)66(38-78(128)129)114-93(71)141)89(137)111-63(32-54-21-15-13-16-22-54)87(135)103-52(9)82(130)99-39-76(126)109-69/h13-30,35,48-53,61-72,79-81,105,121-122H,11-12,31-34,36-47H2,1-10H3,(H,99,130)(H,100,132)(H,101,133)(H,102,143)(H,103,135)(H,104,134)(H,106,124)(H,107,125)(H,108,123)(H,109,126)(H,110,140)(H,111,137)(H,112,142)(H,113,138)(H,114,141)(H,115,136)(H,116,139)(H,117,144)(H,118,127)(H,119,145)(H,120,131)(H,128,129)(H,146,147)/t50-,51-,52-,53-,61-,62+,63-,64-,65-,66-,67-,68-,69-,70+,71+,72+,79-,80-,81-/m0/s1","m_plus_h":"2177.8588","m_plus_na":"2199.8407","origin_reference":{"doi":"10.1128/aac.00683-15","pmid":26055366,"authors":"Valiante, Vito; Monteiro, Maria Cândida; Martín, Jesús; Altwasser, Robert; Aouad, Noureddine El; González, Ignacio; Kniemeyer, Olaf; Mellado, Emilia; Palomo, Sara; De Pedro, Nuria; Pérez-Victoria, Ignacio; Tormo, José R.; Vicente, Francisca; Reyes, Fernando; Genilloud, Olga; Brakhage, Axel A.","title":"Hitting the caspofungin salvage pathway of human-pathogenic fungi with the novel lasso peptide humidimycin (MDN-0010)","journal":"Antimicrobial Agents and Chemotherapy","year":2015,"volume":"59","issue":"9","pages":"5145-5153"},"origin_organism":{"id":5383,"type":"Bacterium","genus":"Streptomyces","species":"humidus","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":"10.1128/aac.00683-15","structure_smiles":"CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H]2CSSC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H]3CSSC[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(C)C)NC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3)C)CC4=CC=CC=C4)NC(=O)[C@@H](NC2=O)CC(=O)O)CC5=CC=C(C=C5)O)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC8=CC=CC=C8N7)C(=O)O)CO","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002307"},{"external_db_name":"npmrd","external_db_code":"NP0014246"}],"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)CN=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]2([H])CSSC[C@]3([H])N=C(O)CN=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CC4=CC=CC=C4)N=C(O)[C@]([H])(CC(O)=N2)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@@]([H])(CSSC[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(C)N=C(O)[C@@]([H])(CC2=CC=C(O)C=C2)N=C(O)CN=C3O)[C@@]([H])(C)CC)C(C)C)C(O)=N[C@@]([H])(CC2=CC=CC=C2)C(O)=N[C@@]([H])(CC2=CC3=CC=CC=C3N2)C(O)=O)N=C(O)[C@]([H])(CO)N=C(O)CN=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=KEGZLFHRZXUETN-KUYIIAQISA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002010","name":"Hybrid peptides","chemont_id":"CHEMONTID:0002010","description":"Compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Dicarboxylic acids and derivatives","Heteroaromatic compounds","Hybrid peptides","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Indolyl carboxylic acids and derivatives","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic disulfides","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Peptidomimetics","Phenethylamines","Phenols","Polyols","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Pyrroles","Substituted pyrroles"],"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 hybrid peptides. 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