{"id":7478,"npaid":"NPA007478","original_name":"Kawaguchipeptin A","mol_formula":"C68H92N16O18","mol_weight":"1421.5780","exact_mass":"1420.6776","inchikey":"SZGKSIQFXTWZJY-XNLLDMJTSA-N","smiles":"C[C@H]([C@H]1C(=O)N2CCC[C@H]2C(=O)N3[C@@H](C[C@@]4([C@H]3NC5=CC=CC=C54)CC=C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6[C@@H](C[C@@]7([C@H]6NC8=CC=CC=C87)CC=C(C)C)C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)N)CC(C)C)O","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C68H92N16O18/c1-32(2)18-20-67-28-47-61(99)78-45(31-85)59(97)81-54(35(7)86)64(102)82-22-12-17-46(82)63(101)84-48(29-68(21-19-33(3)4)37-14-9-11-16-39(37)80-66(68)84)60(98)76-40(23-34(5)6)56(94)74-41(24-49(69)87)55(93)72-30-52(90)73-43(27-53(91)92)58(96)75-42(25-50(70)88)57(95)77-44(26-51(71)89)62(100)83(47)65(67)79-38-15-10-8-13-36(38)67/h8-11,13-16,18-19,34-35,40-48,54,65-66,79-80,85-86H,12,17,20-31H2,1-7H3,(H2,69,87)(H2,70,88)(H2,71,89)(H,72,93)(H,73,90)(H,74,94)(H,75,96)(H,76,98)(H,77,95)(H,78,99)(H,81,97)(H,91,92)/t35-,40-,41+,42+,43+,44+,45+,46+,47+,48+,54+,65+,66+,67+,68+/m1/s1","m_plus_h":"1421.6849","m_plus_na":"1443.6668","origin_reference":{"doi":"10.1016/0040-4020(96)00452-8","pmid":null,"authors":"Ishida, Keishi; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi","title":"Kawaguchipeptin A, a novel cyclic undecapeptide from cyanobacterium Microcystis aeruginosa (NIES-88)","journal":"Tetrahedron","year":1996,"volume":"52","issue":"27","pages":"9025-9030"},"origin_organism":{"id":1223,"type":"Bacterium","genus":"Microcystis","species":"aeruginosa (NIES-88)","taxon":{"id":472,"name":"Microcystis","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1125,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":466,"name":"Chroococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1118},{"id":471,"name":"Microcystaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1890449}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/0040-4020(96)00452-8","structure_smiles":"C[C@H]([C@H]1C(=O)N2CCC[C@H]2C(=O)N3[C@@H](C[C@@]4([C@H]3NC5=CC=CC=C54)CC=C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6[C@@H](C[C@@]7([C@H]6NC8=CC=CC=C87)CC=C(C)C)C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)N)CC(C)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001632"}],"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)(O)[C@]1([H])N=C(O)[C@]([H])(CO)N=C(O)[C@]2([H])C[C@@]3(CC=C(C)C)C4=CC=CC=C4N[C@@]3([H])N2C(=O)[C@]([H])(CC(O)=N)N=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@]([H])(CC(O)=O)N=C(O)CN=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@@]([H])(CC(C)C)N=C(O)[C@]2([H])C[C@@]3(CC=C(C)C)C4=CC=CC=C4N[C@@]3([H])N2C(=O)[C@]2([H])CCCN2C1=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=SZGKSIQFXTWZJY-XNLLDMJTSA-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":["Alcohols and polyols","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 acids","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Hybrid peptides","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Indolines","Lactams","Monocarboxylic 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","Peptidomimetics","Polyols","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Pyrroles","Pyrrolidines","Pyrroloindoles","Secondary alcohols","Secondary alkylarylamines","Secondary amines","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 hybrid peptides. 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