{"id":21336,"npaid":"NPA021336","original_name":"Glidobactin G","mol_formula":"C27H44N4O7","mol_weight":"536.6700","exact_mass":"536.3210","inchikey":"IHONJNBUCZLUOS-PPTJONKGSA-N","smiles":"CCCCCCC/C=C/C=C/C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\\[C@@H](NC1=O)CO)O","cluster_id":949,"node_id":817,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H44N4O7/c1-3-4-5-6-7-8-9-10-11-12-24(36)31-25(19(2)33)27(38)30-22-17-21(34)15-16-28-23(35)14-13-20(18-32)29-26(22)37/h9-14,19-22,25,32-34H,3-8,15-18H2,1-2H3,(H,28,35)(H,29,37)(H,30,38)(H,31,36)/b10-9+,12-11+,14-13-/t19-,20-,21+,22+,25-/m1/s1","m_plus_h":"537.3283","m_plus_na":"559.3102","origin_reference":{"doi":"10.7164/antibiotics.41.1906","pmid":3145259,"authors":"Oka M; Ohkuma H; Kamei H; Konishi M; Oki T; Kawaguchi H","title":"GLIDOBACTINS D, E, F, G AND H; MINOR COMPONENTS OF THE ANTITUMOR ANTIBIOTIC GLIDOBACTIN","journal":"Journal of Antibiotics","year":1988,"volume":"41","issue":"12","pages":"1906-1909"},"origin_organism":{"id":6532,"type":"Bacterium","genus":"Polyangium","species":"brachysporum sp. nov. No. K481-B101 (ATCC 53580)","taxon":{"id":181,"name":"Polyangium","rank":"genus","taxon_db":"lpsn","external_id":"516369","ncbi_id":55,"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":168,"name":"Deltaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28221},{"id":169,"name":"Myxococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":29},{"id":177,"name":"Polyangiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":49}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.41.1906","structure_smiles":"CCCCCCC/C=C/C=C/C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\\[C@@H](NC1=O)CO)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020463"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"[H]\\C(CCCCCCC)=C(\\[H])/C(/[H])=C(\\[H])C(O)=N[C@@]([H])(C(O)=N[C@@]1([H])C[C@@]([H])(O)CCN=C(O)\\C([H])=C([H])/[C@]([H])(CO)N=C1O)[C@@]([H])(C)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=IHONJNBUCZLUOS-PPTJONKGSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["Alcohols and polyols","Amino acids, peptides, and analogues","Azacyclic compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic peptides","Hydrocarbon derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Polyols","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols"],"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 cyclic peptides. 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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"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. They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["carboximidic acid (CHEBI:48378)","secondary alcohol (CHEBI:35681)","dipolar compound (CHEBI:51151)","polyol (CHEBI:26191)","organonitrogen heterocyclic compound (CHEBI:38101)","primary alcohol (CHEBI:15734)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organic molecule (CHEBI:72695)","cyclic peptide (CHEBI:23449)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","organic heterocyclic compound (CHEBI:24532)","nitrogen molecular entity (CHEBI:51143)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Cyclic peptides"],"pathway_results":["Amino acids and Peptides"],"superclass_results":["Oligopeptides"]}}