{"id":25300,"npaid":"NPA025300","original_name":"Sarpeptin B","mol_formula":"C42H62N8O16","mol_weight":"934.9980","exact_mass":"934.4284","inchikey":"FZUDENSOWQNVBO-BRWUTIDASA-N","smiles":"CCC(C)CC/C=C\\C=C\\C(=O)NCC(=O)NCC(=O)N[C@@H](C(C(=O)O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(C(=O)O)O)C(=O)N","cluster_id":7679,"node_id":5246,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C42H62N8O16/c1-6-22(4)11-9-7-8-10-12-28(53)44-19-29(54)45-20-30(55)48-33(35(57)42(65)66)40(62)47-27(18-24-13-15-25(52)16-14-24)38(60)49-31(23(5)51)39(61)46-26(17-21(2)3)37(59)50-32(36(43)58)34(56)41(63)64/h7-8,10,12-16,21-23,26-27,31-35,51-52,56-57H,6,9,11,17-20H2,1-5H3,(H2,43,58)(H,44,53)(H,45,54)(H,46,61)(H,47,62)(H,48,55)(H,49,60)(H,50,59)(H,63,64)(H,65,66)/b8-7-,12-10+/t22?,23-,26-,27+,31+,32-,33+,34?,35?/m1/s1","m_plus_h":"935.4357","m_plus_na":"957.4176","origin_reference":{"doi":"10.1021/acs.jnatprod.9b00074","pmid":31381320,"authors":"Koomsiri W; Inahashi Y; Leetanasaksakul K; Shiomi K; Takahashi YK; O Mura S; Samborskyy M; Leadlay PF; Wattana-Amorn P; Thamchaipenet A; Nakashima T","title":"Sarpeptins A and B, Lipopeptides Produced by Streptomyces sp. KO-7888 Overexpressing a Specific SARP Regulator.","journal":"Journal of Natural Products","year":2019,"volume":"82","issue":"8","pages":"2144-2151"},"origin_organism":{"id":1694,"type":"Bacterium","genus":"Streptomyces","species":"sp. KO-7888","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":"10.1021/acs.jnatprod.9b00074","structure_smiles":"CCC(C)CC/C=C\\C=C\\C(=O)NCC(=O)NCC(=O)N[C@@H](C(C(=O)O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(C(=O)O)O)C(=O)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020231"}],"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(CCC([H])(C)CC)=C(/[H])\\C(\\[H])=C(/[H])C(O)=NCC(O)=NCC(O)=N[C@]([H])(C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=N[C@]([H])(C(O)=N[C@]([H])(CC(C)C)C(O)=N[C@@]([H])(C(O)=N)C([H])(O)C(O)=O)[C@@]([H])(C)O)C([H])(O)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=FZUDENSOWQNVBO-BRWUTIDASA-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 hydroxy acids and derivatives","Amphetamines and derivatives","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Hybrid peptides","Hydrocarbon derivatives","Hydroxy acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptidomimetics","Phenethylamines","Phenols","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols"],"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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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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