{"id":16016,"npaid":"NPA016016","original_name":"Scytovirin","mol_formula":"C66H91N19O24S","mol_weight":"1566.6300","exact_mass":"1565.6205","inchikey":"CYCBEOBJNJNJLP-UFTHWJGPSA-N","smiles":"C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N4CCC[C@H]4C(=O)NCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CO)NC(=O)CN)O","cluster_id":2174,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C66H91N19O24S/c1-30(55(98)77-40(21-47(68)89)61(104)81-42(23-49(70)91)66(109)85-18-6-9-45(85)63(106)73-27-53(96)97)74-57(100)37(15-16-52(94)95)76-60(103)41(22-48(69)90)79-59(102)39(20-33-25-71-36-8-4-3-7-35(33)36)78-62(105)44(29-110)82-58(101)38(19-32-11-13-34(88)14-12-32)80-65(108)54(31(2)87)83-64(107)46-10-5-17-84(46)51(93)26-72-56(99)43(28-86)75-50(92)24-67/h3-4,7-8,11-14,25,30-31,37-46,54,71,86-88,110H,5-6,9-10,15-24,26-29,67H2,1-2H3,(H2,68,89)(H2,69,90)(H2,70,91)(H,72,99)(H,73,106)(H,74,100)(H,75,92)(H,76,103)(H,77,98)(H,78,105)(H,79,102)(H,80,108)(H,81,104)(H,82,101)(H,83,107)(H,94,95)(H,96,97)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,54-/m0/s1","m_plus_h":"1566.6278","m_plus_na":"1588.6097","origin_reference":{"doi":"10.1021/bi0205698","pmid":12614152,"authors":"Bokesch, Heidi R.; O'Keefe, Barry R.; McKee, Tawnya C.; Pannell, Lewis K.; Patterson, Gregory M. L.; Gardella, Roberta S.; Sowder, Raymond C.; Turpin, Jim; Watson, Karen; Buckheit, Robert W.; , ; Boyd, Michael R.","title":"A Potent Novel Anti-HIV Protein from the Cultured Cyanobacterium Scytonema varium†","journal":"Biochemistry","year":2003,"volume":"42","issue":"9","pages":"2578-2584"},"origin_organism":{"id":5069,"type":"Bacterium","genus":"Scytonema","species":"varium","taxon":{"id":446,"name":"Scytonema","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1203,"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":419,"name":"Nostocales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1161},{"id":444,"name":"Scytonemataceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1182}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/bi0205698","structure_smiles":"C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N4CCC[C@H]4C(=O)NCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CO)NC(=O)CN)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0004545"}],"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":"C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(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=CYCBEOBJNJNJLP-UFTHWJGPSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","3-alkylindoles","Alanine and derivatives","Alcohols and polyols","Alkylthiols","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Asparagine and derivatives","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cysteine and derivatives","Dicarboxylic acids and derivatives","Fatty Acyls","Fatty amides","Glutamic acid and derivatives","Heteroaromatic compounds","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Lipids and lipid-like molecules","Monoalkylamines","N-acyl amines","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","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","Peptides","Phenethylamines","Phenols","Phenylalanine and derivatives","Polypeptides","Primary alcohols","Primary amines","Primary carboxylic acid amides","Proline and derivatives","Pyrroles","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary alcohols","Secondary carboxylic acid amides","Serine and derivatives","Substituted pyrroles","Tertiary carboxylic acid amides","Thiols","Tryptamines and derivatives","Tyrosine and derivatives"],"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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