{"id":6031,"npaid":"NPA006031","original_name":"Lucensimycin G","mol_formula":"C46H62N2O21S","mol_weight":"1011.0620","exact_mass":"1010.3566","inchikey":"UVXKPNMTXXZBGO-AKNKUWPESA-N","smiles":"C[C@H]1[C@@H](C[C@H]2[C@H]([C@@H]1O)C=C[C@@H]3[C@@]2(C(=O)[C@]4([C@@H](C3)C=CC=CC=CC(=O)O)C(=O)[C@H](OC4=O)CSC[C@H](C(=O)N[C@@H]5[C@H]([C@@H]([C@@H](O[C@@H]5OC6[C@H]([C@H](C([C@H]([C@@H]6O)O)O)O)O)CO)O)O)NC(=O)C)C)OC(=O)C","cluster_id":266,"node_id":241,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C46H62N2O21S/c1-18-26(66-20(3)51)14-24-23(31(18)54)12-11-21-13-22(9-7-5-6-8-10-29(52)53)46(43(64)45(21,24)4)40(62)28(68-44(46)65)17-70-16-25(47-19(2)50)41(63)48-30-33(56)32(55)27(15-49)67-42(30)69-39-37(60)35(58)34(57)36(59)38(39)61/h5-12,18,21-28,30-39,42,49,54-61H,13-17H2,1-4H3,(H,47,50)(H,48,63)(H,52,53)/t18-,21-,22+,23+,24-,25+,26+,27-,28+,30+,31+,32+,33+,34?,35-,36+,37-,38-,39?,42+,45-,46-/m0/s1","m_plus_h":"1011.3639","m_plus_na":"1033.3458","origin_reference":{"doi":"10.1021/np8005106","pmid":19115838,"authors":"Singh, Sheo B.; Zink, Deborah L.; Dorso, Karen; Motyl, Mary; Salazar, Oscar; Basilio, Angela; Vicente, Francisca; Byrne, Kevin M.; Ha, Sookhee; Genilloud, Olga","title":"Isolation, structure, and antibacterial activities of lucensimycins D-G, discovered from streptomyces lucensis MA7349 using an antisense strategy","journal":"Journal of Natural Products","year":2009,"volume":"72","issue":"3","pages":"345-352"},"origin_organism":{"id":283,"type":"Bacterium","genus":"Streptomyces","species":"lucensis MA7349","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np8005106","structure_smiles":"C[C@H]1[C@@H](C[C@H]2[C@H]([C@@H]1O)C=C[C@@H]3[C@@]2(C(=O)[C@]4([C@@H](C3)C=CC=CC=CC(=O)O)C(=O)[C@H](OC4=O)CSC[C@H](C(=O)N[C@@H]5[C@H]([C@@H]([C@@H](O[C@@H]5OC6[C@H]([C@H](C([C@H]([C@@H]6O)O)O)O)O)CO)O)O)NC(=O)C)C)OC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0008177"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"C[C@H]1[C@@H](C[C@H]2[C@@H](C=C[C@H]3C[C@@H](C=CC=CC=CC(O)=O)[C@@]4(C(=O)O[C@H](CSC[C@@H](NC(C)=O)C(=O)N[C@@H]5[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]5OC5[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]5O)C4=O)C(=O)[C@]23C)[C@@H]1O)OC(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=UVXKPNMTXXZBGO-AKNKUWPESA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000011","name":"Carbohydrates and carbohydrate conjugates","chemont_id":"CHEMONTID:0000011","description":"Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."},"ancestors":["Acetals","Acetamides","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminosaccharides","Benzenoids","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclitols and derivatives","Cyclohexanols","Cysteine and derivatives","Dialkylthioethers","Dihydrofurans","Ethers","Furanones","Gamma butyrolactones","Glycosyl compounds","Hydrocarbon derivatives","Ketones","Lactones","Monosaccharides","N-acyl-alpha amino acids and derivatives","N-acyl-alpha-hexosamines","O-glycosyl compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Oxacyclic compounds","Oxanes","Phenanthrenes and derivatives","Polyols","Primary alcohols","Secondary alcohols","Secondary carboxylic acid amides","Sulfenyl compounds","Tetrahydrofurans","Thioethers","Tricarboxylic acids and derivatives"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["phenanthrenes (CHEBI:25961)","N-acyl-amino acid (CHEBI:51569)","cysteine derivative (CHEBI:23509)","amino acid amide (CHEBI:22475)","glycoside (CHEBI:24400)","carbonyl compound (CHEBI:36586)","cyclohexanols (CHEBI:23480)","oxanes (CHEBI:46942)","monosaccharide (CHEBI:35381)","gamma-lactone (CHEBI:37581)","furans (CHEBI:24129)","cyclic ketone (CHEBI:3992)","organooxygen compound (CHEBI:36963)","oxolanes (CHEBI:26912)","acetamides (CHEBI:22160)","carboxamide (CHEBI:37622)","ketone (CHEBI:17087)","carboxylic ester (CHEBI:33308)","organosulfur compound (CHEBI:33261)","polyol (CHEBI:26191)","oxacycle (CHEBI:38104)","aliphatic sulfide (CHEBI:22327)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","acetal (CHEBI:59769)","primary alcohol (CHEBI:15734)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","N-acyl-hexosamine (CHEBI:21656)","chemical entity (CHEBI:24431)","benzenoid aromatic compound (CHEBI:33836)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","oxygen molecular entity (CHEBI:25806)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","secondary alcohol (CHEBI:35681)","organic heterocyclic compound (CHEBI:24532)","lactone (CHEBI:25000)","dihydrofuran (CHEBI:51659)","amide (CHEBI:32988)","organic sulfide (CHEBI:16385)","ether (CHEBI:25698)","nitrogen molecular entity (CHEBI:51143)","amino sugar (CHEBI:28963)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":true,"class_results":[],"pathway_results":["Polyketides"],"superclass_results":[]}}