{"id":33017,"npaid":"NPA033017","original_name":"Streptamidine","mol_formula":"C28H42N10O8","mol_weight":"646.7060","exact_mass":"646.3187","inchikey":"WIFLZTQPWWGHBD-PZKQBHIFSA-N","smiles":"CC(C)CC1NC(=O)[C@H](CC2=CN=C[NH]2)N=C1N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[C@@H](C)O","cluster_id":9523,"node_id":6376,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H42N10O8/c1-13(2)5-18-23(34-19(25(42)36-18)6-16-8-29-11-31-16)35-21(10-39)26(43)33-14(3)24(41)38-22(15(4)40)27(44)37-20(28(45)46)7-17-9-30-12-32-17/h8-9,11-15,18-22,39-40H,5-7,10H2,1-4H3,(H,29,31)(H,30,32)(H,33,43)(H,34,35)(H,36,42)(H,37,44)(H,38,41)(H,45,46)/t14-,15+,18?,19-,20-,21-,22-/m0/s1","m_plus_h":"647.3260","m_plus_na":"669.3079","origin_reference":{"doi":"10.1039/d1sc01456k","pmid":34659714,"authors":"Russell, Alicia H.; Vior, Natalia M.; Hems, Edward S.; Lacret, Rodney; Truman, Andrew W.","title":"Discovery and characterisation of an amidine-containing ribosomally-synthesised peptide that is widely distributed in nature","journal":"Chemical Science","year":2021,"volume":"12","issue":"35","pages":"11769-11778"},"origin_organism":{"id":10686,"type":"Bacterium","genus":"Streptomyces","species":"albidoflavus J1074","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":"10.1039/d1sc01456k","structure_smiles":"CC(C)CC1NC(=O)[C@H](CC2=CN=C[NH]2)N=C1N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[C@@H](C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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":"CC(C)CC1NC(=O)[C@H](CC2=CN=CN2)N=C1N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CN=CN1)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=WIFLZTQPWWGHBD-PZKQBHIFSA-N","subclass":null,"ancestors":["Alanine and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amidines","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azoles","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Formamidines","Heteroaromatic compounds","Hydrocarbon derivatives","Imidazoles","Imidazolyl carboxylic acids and derivatives","Imidolactams","Lactams","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic 1,3-dipolar compounds","Organic Polymers","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Polypeptides","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Serine and derivatives","Substituted imidazoles"],"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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They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000160","name":"Lactams","chemont_id":"CHEMONTID:0000160","description":"Compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003633","name":"Propargyl-type 1,3-dipolar organic compounds","chemont_id":"CHEMONTID:0003633","description":"Organic 1,3-dipolar compounds with the general structure  X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001137","name":"Monocarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001137","description":"Carboxylic acids containing exactly one carboxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004729","name":"Formamidines","chemont_id":"CHEMONTID:0004729","description":"Amidines with the general structure Amidines with the general structure RN=CHN(R')R\\\", where R, R',and R\\\" are any atoms not part of an amide or a thioamide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001205","name":"Carboxylic acids","chemont_id":"CHEMONTID:0001205","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000475","name":"Carboxylic acid amides","chemont_id":"CHEMONTID:0000475","description":"Carboxylic acid derivatives containing a carbonyl group in which the carbon atom is linked to a nitrogen atom (substituted or not). 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