{"id":3592,"npaid":"NPA003592","original_name":"Malyngamide 2","mol_formula":"C25H42ClNO6","mol_weight":"488.0650","exact_mass":"487.2701","inchikey":"OEGLIHPBLJQCGW-DRBFKITJSA-N","smiles":"CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)/[C@@H]1C(=O)[C@@H](C[C@H]([C@]1(C)O)O)O)OC","cluster_id":1972,"node_id":1583,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H42ClNO6/c1-4-5-6-7-9-12-19(33-3)13-10-8-11-14-22(30)27-17-18(16-26)23-24(31)20(28)15-21(29)25(23,2)32/h8,10,16,19-21,23,28-29,32H,4-7,9,11-15,17H2,1-3H3,(H,27,30)/b10-8+,18-16-/t19-,20+,21+,23+,25-/m0/s1","m_plus_h":"488.2774","m_plus_na":"510.2593","origin_reference":{"doi":"10.1021/np1005407","pmid":21155594,"authors":"Malloy, Karla L.; Villa, Francisco A.; Engene, Niclas; Matainaho, Teatulohi; Gerwick, Lena; Gerwick, William H.","title":"Malyngamide 2, an oxidized lipopeptide with nitric oxide inhibiting activity from a Papua New Guinea marine cyanobacterium","journal":"Journal of Natural Products","year":2011,"volume":"74","issue":"1","pages":"95-98"},"origin_organism":{"id":2174,"type":"Bacterium","genus":"Lyngbya","species":"sordida","taxon":{"id":477,"name":"Lyngbya","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":28073,"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":473,"name":"Oscillatoriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1150},{"id":474,"name":"Oscillatoriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892254}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np1005407","structure_smiles":"CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)/[C@@H]1C(=O)[C@@H](C[C@H]([C@]1(C)O)O)O)OC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00000001799%Malyngamide 2 %1"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000001800%Malyngamide 2 %1"},{"external_db_name":"npmrd","external_db_code":"NP0009647"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"CCCCCCC[C@@H](C\\C=C\\CCC(=O)NC\\C(=C\\Cl)[C@@H]1C(=O)[C@H](O)C[C@@H](O)[C@]1(C)O)OC","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=OEGLIHPBLJQCGW-DRBFKITJSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001549","name":"Monoterpenoids","chemont_id":"CHEMONTID:0001549","description":"Compounds containing a chain of two isoprene units."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Cyclic alcohols and derivatives","Cyclic ketones","Cyclitols and derivatives","Dialkyl ethers","Ethers","Fatty Acyls","Fatty amides","Haloalkenes","Hydrocarbon derivatives","Ketones","Lipids and lipid-like molecules","Monocyclic monoterpenoids","Monoterpenoids","N-acyl amines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Polyols","Prenol lipids","Secondary alcohols","Secondary carboxylic acid amides","Tertiary alcohols","Vinyl chlorides","Vinyl halides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. 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