{"id":7537,"npaid":"NPA007537","original_name":"FR-900098","mol_formula":"C5H12NO5P","mol_weight":"197.1270","exact_mass":"197.0453","inchikey":"PKMNDDZSIHLLLI-UHFFFAOYSA-N","smiles":"CC(=O)N(CCCP(=O)(O)O)O","cluster_id":3358,"node_id":2014,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)","m_plus_h":"198.0526","m_plus_na":"220.0345","origin_reference":{"doi":"10.7164/antibiotics.33.13","pmid":6768704,"authors":"Okuhara, M; Kuroda, Y; Goto, T; Okamoto, M; Terano, H; Kohsaka, M; Aoki, H; Imanaka, H","title":"Studies on new phosphonic acid antibiotics. I. FR-900098, isolation and characterization","journal":"Journal of Antibiotics","year":1980,"volume":"33","issue":"1","pages":"13-17"},"origin_organism":{"id":3448,"type":"Bacterium","genus":"Streptomyces","species":"rubellomurinus sp. nov. 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These are organic compounds containing phosphonic acid.","substituents":["Acetohydroxamic acid","Acetamide","Organophosphonic acid","Hydroxamic acid","Carboxylic acid derivative","Organic nitrogen compound","Organic oxygen compound","Organopnictogen compound","Organic oxide","Hydrocarbon derivative","Organophosphorus compound","Organooxygen compound","Organonitrogen compound","Carbonyl group","Aliphatic acyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001302","name":"Organic phosphonic acids","chemont_id":"CHEMONTID:0001302","description":"Organic compounds containing phosphonic acid."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003223","name":"Acetohydroxamic acids","chemont_id":"CHEMONTID:0003223","description":"Organic compounds that contain a hydroxamic acid group carrying a methyl group attached to its carbon center."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003922","name":"Acetamides","chemont_id":"CHEMONTID:0003922","description":"Organic compounds with the general formula RNHC(=O)CH3, where R= organyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. 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They contain at least one carbon atom and heteroatom."},{"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."}],"molecular_framework":"Aliphatic acyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:81398","annotations":["phosphonoacetic acid"]}],"predicted_chebi_terms":["acetohydroxamic acids (CHEBI:22177)","acetamides (CHEBI:22160)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organophosphorus compound (CHEBI:25710)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","carbonyl compound (CHEBI:36586)","phosphonic acids (CHEBI:26069)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","amide (CHEBI:32988)","carboxamide (CHEBI:37622)","hydroxamic acid (CHEBI:24650)","nitrogen molecular entity (CHEBI:51143)","oxygen molecular entity (CHEBI:25806)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":[],"superclass_results":[]}}