{"id":12026,"npaid":"NPA012026","original_name":"POH 1","mol_formula":"C41H67N13O17S","mol_weight":"1046.1280","exact_mass":"1045.4499","inchikey":"VQUWZPAMNLOCKJ-CMMHUCOGSA-N","smiles":"C[C@H](C(C(=O)NC(CCC(=O)O)C(=O)NC([C@@H](C)O)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)NC([C@H](C)O)C(=O)NCC(=O)N2CCCC2C(=O)N)N)O","cluster_id":4571,"node_id":2247,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C41H67N13O17S/c1-17(55)30(44)39(69)48-21(9-11-29(61)62)35(65)52-32(19(3)57)41(71)54-13-5-7-25(54)38(68)47-20(8-10-26(42)58)34(64)50-23(16-72)37(67)49-22(14-27(43)59)36(66)51-31(18(2)56)40(70)46-15-28(60)53-12-4-6-24(53)33(45)63/h17-25,30-32,55-57,72H,4-16,44H2,1-3H3,(H2,42,58)(H2,43,59)(H2,45,63)(H,46,70)(H,47,68)(H,48,69)(H,49,67)(H,50,64)(H,51,66)(H,52,65)(H,61,62)/t17-,18+,19-,20?,21?,22?,23?,24?,25?,30?,31?,32?/m1/s1","m_plus_h":"1046.4572","m_plus_na":"1068.4391","origin_reference":{"doi":"10.1099/00221287-144-11-2961","pmid":9846731,"authors":"Asgeirsddttir, S. A.; Vries, O. M. H de; Wessels, J. G. H","title":"ldentif ication of three differentially expressed hydrophobins in Pleurotus ostreatus (oyster mushroom)","journal":"Microbiology","year":1998,"volume":"144","issue":"11","pages":"2961-2969"},"origin_organism":{"id":3084,"type":"Fungus","genus":"Pleurotus","species":"ostreatus","taxon":{"id":1467,"name":"Pleurotus","rank":"genus","taxon_db":"mycobank","external_id":"18308","ncbi_id":5320,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1465,"name":"Pleurotaceae","rank":"family","taxon_db":"mycobank","external_id":"81191","ncbi_id":104366}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1099/00221287-144-11-2961","structure_smiles":"C[C@H](C(C(=O)NC(CCC(=O)O)C(=O)NC([C@@H](C)O)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)NC([C@H](C)O)C(=O)NCC(=O)N2CCCC2C(=O)N)N)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0023873"}],"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(N)C(=O)NC(CCC(O)=O)C(=O)NC([C@@H](C)O)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CS)C(=O)NC(CC(N)=O)C(=O)NC([C@H](C)O)C(=O)NCC(=O)N1CCCC1C(N)=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=VQUWZPAMNLOCKJ-CMMHUCOGSA-N","subclass":null,"ancestors":["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","Asparagine and derivatives","Azacyclic compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cysteine and derivatives","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Glutamic acid and derivatives","Glutamine and derivatives","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxy fatty acids","Lipids and lipid-like molecules","Monoalkylamines","Monocarboxylic acids and derivatives","N-acyl amines","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","Polypeptides","Primary amines","Primary carboxylic acid amides","Proline and derivatives","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary alcohols","Secondary carboxylic acid amides","Tertiary carboxylic acid amides","Thiols"],"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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Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003023","name":"N-acylpyrrolidines","chemont_id":"CHEMONTID:0003023","description":"N-Acylated Pyrrolidine derivatives. 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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."}],"molecular_framework":"Aliphatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["peptide (CHEBI:16670)","glutamic acid derivative (CHEBI:24315)","glutamine derivative (CHEBI:70813)","asparagine derivative (CHEBI:22654)","proline derivative (CHEBI:26273)","N-acyl-amino acid (CHEBI:51569)","cysteine derivative (CHEBI:23509)","amino acid amide (CHEBI:22475)","pyrrolidinecarboxamide (CHEBI:46770)","N-acylpyrrolidine (CHEBI:46766)","heterocyclic fatty acid (CHEBI:48847)","hydroxy fatty acid (CHEBI:24654)","fatty amide (CHEBI:29348)","carboxamide (CHEBI:37622)","amino acid (CHEBI:33709)","secondary alcohol (CHEBI:35681)","carbonyl compound (CHEBI:36586)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","organonitrogen heterocyclic compound (CHEBI:38101)","alkanethiol (CHEBI:47908)","organic molecule (CHEBI:72695)","alkylamine (CHEBI:13759)","organic oxide (CHEBI:25701)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","polypeptide (CHEBI:15841)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","organonitrogen compound (CHEBI:35352)","organic heterocyclic compound (CHEBI:24532)","pyrrolidines (CHEBI:38260)","lipid (CHEBI:18059)","monocarboxylic acid (CHEBI:25384)","amide (CHEBI:32988)","oxygen molecular entity (CHEBI:25806)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","organosulfur compound (CHEBI:33261)","thiol (CHEBI:29256)","nitrogen molecular entity (CHEBI:51143)","amine (CHEBI:32952)","primary amine (CHEBI:32877)","polymer (CHEBI:60027)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Heterocyclic fatty acids (FA0115)","Hydroxy fatty acids (FA0105)","N-acyl amines (FA0802)","Fatty Acyls (FA)","Fatty Acids and Conjugates (FA01)","Fatty amides (FA08)"]},"npclassifier":{"isglycoside":false,"class_results":["RiPPs"],"pathway_results":["Amino acids and Peptides"],"superclass_results":["Oligopeptides"]}}