{"id":22479,"npaid":"NPA022479","original_name":"Lyngbyabellin P","mol_formula":"C36H53Cl2N3O12S2","mol_weight":"854.8690","exact_mass":"853.2448","inchikey":"OBWCQUXEFAKVED-CBHXVBAKSA-N","smiles":"CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)OC[C@H](C1=NC(=CS1)C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@H](C2=NC(=CS2)C(=O)OC)C(C)(C)O)O)O","cluster_id":2632,"node_id":2047,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C36H53Cl2N3O12S2/c1-9-11-27(44)39-21(14-19(2)3)24(42)15-28(45)51-16-25(43)30-40-23(18-54-30)34(48)52-26(12-10-13-36(7,37)38)20(4)32(46)53-29(35(5,6)49)31-41-22(17-55-31)33(47)50-8/h17-21,24-26,29,42-43,49H,9-16H2,1-8H3,(H,39,44)/t20-,21-,24+,25+,26-,29+/m0/s1","m_plus_h":"854.2521","m_plus_na":"876.2340","origin_reference":{"doi":"10.1021/acs.jnatprod.7b00449","pmid":29019684,"authors":"Petitbois, Julie G.; Casalme, Loida O.; Lopez, Julius Adam V.; Alarif, Walied M.; Abdel-Lateff, Ahmed; Al-Lihaibi, Sultan S.; Yoshimura, Erina; Nogata, Yasuyuki; Umezawa, Taiki; Matsuda, Fuyuhiko; Okino, Tatsufumi","title":"Serinolamides and Lyngbyabellins from an Okeania sp. Cyanobacterium Collected from the Red Sea","journal":"Journal of Natural Products","year":2017,"volume":"80","issue":"10","pages":"2708-2715"},"origin_organism":{"id":5027,"type":"Bacterium","genus":"Okeania","species":"sp.","taxon":{"id":480,"name":"Okeania","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1458928,"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/acs.jnatprod.7b00449","structure_smiles":"CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)OC[C@H](C1=NC(=CS1)C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@H](C2=NC(=CS2)C(=O)OC)C(C)(C)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0017083"}],"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@@](O)(COC(=O)C[C@@]([H])(O)[C@]([H])(CC(C)C)N=C(O)CCC)C1=NC(=CS1)C(=O)O[C@@]([H])(CCCC(C)(Cl)Cl)[C@]([H])(C)C(=O)O[C@]([H])(C1=NC(=CS1)C(=O)OC)C(C)(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=OBWCQUXEFAKVED-CBHXVBAKSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002966","name":"Tetracarboxylic acids and derivatives","chemont_id":"CHEMONTID:0002966","description":"Carboxylic acids containing exactly four carboxyl groups."},"ancestors":["2,4-disubstituted thiazoles","Alcohols and polyols","Alkyl chlorides","Alkyl halides","Amino acids and derivatives","Amino acids, peptides, and analogues","Aromatic alcohols","Azacyclic compounds","Azoles","Beta hydroxy acids and derivatives","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty acid esters","Gamma amino acids and derivatives","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxy acids and derivatives","Lipids and lipid-like molecules","Methyl esters","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Tertiary alcohols","Tetracarboxylic acids and derivatives","Thiazolecarboxylic acids and derivatives","Thiazoles"],"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 tetracarboxylic acids and derivatives. 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They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003633","name":"Propargyl-type 1,3-dipolar organic compounds","chemont_id":"CHEMONTID:0003633","description":"Organic 1,3-dipolar compounds with the general structure  X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002484","name":"Carboximidic acids","chemont_id":"CHEMONTID:0002484","description":"Organic acids with the general formula RC(=N)-OH (R=H, organic group)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"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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