{"id":24638,"npaid":"NPA024638","original_name":"Marinostatin","mol_formula":"C60H83N15O21S","mol_weight":"1382.4750","exact_mass":"1381.5609","inchikey":"JZUVZIYGKYSJHT-JFCKRRLISA-N","smiles":"C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H]3COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O1)NC3=O)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)N","cluster_id":2347,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C60H83N15O21S/c1-29(65-49(83)34(61)23-31-9-5-4-6-10-31)48(82)74-47-30(2)96-46(81)26-39-53(87)72-41(27-76)54(88)69-38(52(86)68-37(59(93)94)17-18-44(78)79)25-45(80)95-28-42(55(89)70-39)73-56(90)43-12-8-21-75(43)58(92)40(24-32-13-15-33(77)16-14-32)71-50(84)35(11-7-20-64-60(62)63)66-51(85)36(19-22-97-3)67-57(47)91/h4-6,9-10,13-16,29-30,34-43,47,76-77H,7-8,11-12,17-28,61H2,1-3H3,(H,65,83)(H,66,85)(H,67,91)(H,68,86)(H,69,88)(H,70,89)(H,71,84)(H,72,87)(H,73,90)(H,74,82)(H,78,79)(H,93,94)(H4,62,63,64)/t29-,30+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1","m_plus_h":"1382.5682","m_plus_na":"1404.5501","origin_reference":{"doi":"10.1021/bi048034x","pmid":15709758,"authors":"Kanaori K; Kamei K; Taniguchi M; Koyama T; Yasui T; Takano R; Imada C; Tajima K; Hara S","title":"Solution structure of marinostatin, a natural ester-linked protein protease inhibitor.","journal":"Biochemistry","year":2005,"volume":"44","issue":"7","pages":"2462-2468"},"origin_organism":{"id":2701,"type":"Bacterium","genus":"Alteromonas","species":"sp.","taxon":{"id":126,"name":"Alteromonas","rank":"genus","taxon_db":"lpsn","external_id":"515095","ncbi_id":226,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":79,"name":"Gammaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":1236},{"id":124,"name":"Alteromonadales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":135622},{"id":125,"name":"Alteromonadaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":72275}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/bi048034x","structure_smiles":"C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H]3COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O1)NC3=O)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000591"},{"external_db_name":"npmrd","external_db_code":"NP0005684"}],"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":"CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC2=CC=CC=C2)[C@@H](C)OC(=O)C[C@@H]2NC(=O)[C@H](COC(=O)C[C@H](NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CCCN=C(N)N)NC1=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=JZUVZIYGKYSJHT-JFCKRRLISA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alanine and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Aralkylamines","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic peptides","Dialkylthioethers","Fatty Acyls","Fatty amides","Glutamic acid and derivatives","Guanidines","Hydrocarbon derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","Macrolides and analogues","Monoalkylamines","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","Organosulfur compounds","Oxacyclic compounds","Peptides","Phenethylamines","Phenols","Phenylalanine and derivatives","Phenylpropanoids and polyketides","Polypeptides","Primary alcohols","Primary amines","Propargyl-type 1,3-dipolar organic compounds","Pyrrolidines","Secondary carboxylic acid amides","Sulfenyl compounds","Tertiary carboxylic acid amides","Tetracarboxylic acids and derivatives","Thioethers"],"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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groups."},{"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/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},{"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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