{"id":11569,"npaid":"NPA011569","original_name":"Thioviridamide","mol_formula":"C56H93N14O10S7+","mol_weight":"1346.9170","exact_mass":"1345.5239","inchikey":"TZZVQGHYMBASEV-VZCXRCSSSA-O","smiles":"CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N/C=C\\SCC(C(=O)N1)NC(=O)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(CCSC)NC(=S)C(C(C)C)NC(=O)C(C)(CC(=O)C)O)C(C2=C[N+](=CN2C)C)O)CC(C)C)C","cluster_id":4461,"node_id":3270,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C56H92N14O10S7/c1-17-29(6)41-49(78)58-31(8)44(73)63-37(22-27(2)3)46(75)67-42(43(72)39-24-69(14)26-70(39)15)48(77)57-19-21-87-25-38(47(76)66-41)64-45(74)32(9)59-50(81)33(10)60-51(82)34(11)61-52(83)35(12)62-53(84)36(18-20-86-16)65-54(85)40(28(4)5)68-55(79)56(13,80)23-30(7)71/h19,21,24,26-29,31-38,40-43,72,80H,17-18,20,22-23,25H2,1-16H3,(H11-,57,58,59,60,61,62,63,64,65,66,67,68,73,74,75,76,77,78,79,81,82,83,84,85)/p+1/b21-19-","m_plus_h":"1346.5312","m_plus_na":"1368.5131","origin_reference":{"doi":"10.1038/ja.2006.1","pmid":16568712,"authors":"Hayakawa, Yoichi; Sasaki, Kahori; Adachi, Hisashi; Furihata, Keiko; Nagai, Koji; Shin-Ya, Kazuo","title":"Thioviridamide, a novel apoptosis inducer in transformed cells from Streptomyces olivoviridis","journal":"Journal of Antibiotics","year":2006,"volume":"59","issue":"1","pages":"1-5"},"origin_organism":{"id":4319,"type":"Bacterium","genus":"Streptomyces","species":"olivoviridis","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":"10.1038/ja.2006.1","structure_smiles":"CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N/C=C\\SCC(C(=O)N1)NC(=O)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(CCSC)NC(=S)C(C(C)C)NC(=O)C(C)(CC(=O)C)O)C(C2=C[N+](=CN2C)C)O)CC(C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000625"},{"external_db_name":"npmrd","external_db_code":"NP0006259"}],"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":"CCC(C)C1NC(=O)C(CS\\C=C/NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC1=O)C(O)C1=C[N+](C)=CN1C)NC(=O)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(C)NC(=S)C(CCSC)NC(=S)C(NC(=O)C(C)(O)CC(C)=O)C(C)C","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=TZZVQGHYMBASEV-VZCXRCSSSA-O","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":["Alanine and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Aromatic alcohols","Azacyclic compounds","Azoles","Beta-hydroxy ketones","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic peptides","Dialkylthioethers","Fatty Acyls","Fatty amides","Heteroaromatic compounds","Hydrocarbon derivatives","Imidazoles","Ketones","Lactams","Lipids and lipid-like molecules","Macrolactams","N-acyl amines","N-acyl-alpha amino acids and derivatives","N-substituted imidazoles","Oligopeptides","Organic acids and derivatives","Organic cations","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Peptides","Phenylpropanoids and polyketides","Secondary alcohols","Secondary carboxylic acid amides","Substituted imidazoles","Sulfenyl compounds","Tertiary alcohols","Thioamides","Thiocarbonyl compounds","Thiocarboxylic acid amides","Thiocarboxylic acids and derivatives","Thioenol ethers","Thioethers"],"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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.","substituents":["Alpha-oligopeptide","Cyclic alpha peptide","N-acyl-alpha amino acid or derivatives","Macrolactam","Alpha-amino acid amide","Alanine or derivatives","N-substituted-alpha-amino acid","Alpha-amino acid or derivatives","N-substituted imidazole","N-acyl-amine","Fatty amide","Beta-hydroxy ketone","Fatty acyl","Heteroaromatic compound","Imidazole","Thioamide","Azole","Tertiary alcohol","Carboxamide group","Ketone","Lactam","Thioenolether","Secondary alcohol","Secondary carboxylic acid amide","Thiocarboxylic acid amide","Azacycle","Thioether","Organoheterocyclic compound","Sulfenyl compound","Dialkylthioether","Thiocarbonyl group","Organonitrogen compound","Organic nitrogen compound","Organic oxygen compound","Aromatic alcohol","Alcohol","Carbonyl group","Organic oxide","Organooxygen compound","Organosulfur compound","Hydrocarbon derivative","Organic cation","Aromatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004831","name":"Oligopeptides","chemont_id":"CHEMONTID:0004831","description":"Organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds."},"intermediate_nodes":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000348","name":"Peptides","chemont_id":"CHEMONTID:0000348","description":"Compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another."}],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001995","name":"Cyclic peptides","chemont_id":"CHEMONTID:0001995","description":"Compounds containing a cyclic moiety bearing a peptide backbone."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000064","name":"Macrolactams","chemont_id":"CHEMONTID:0000064","description":"Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.  They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001189","name":"N-acyl-alpha amino acids and derivatives","chemont_id":"CHEMONTID:0001189","description":"Compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002309","name":"Alpha amino acid amides","chemont_id":"CHEMONTID:0002309","description":"Amide derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004314","name":"Alanine and derivatives","chemont_id":"CHEMONTID:0004314","description":"Compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002913","name":"Beta-hydroxy ketones","chemont_id":"CHEMONTID:0002913","description":"Ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001096","name":"N-acyl amines","chemont_id":"CHEMONTID:0001096","description":"Compounds containing a fatty acid moiety linked to an amine group through an ester linkage."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002311","name":"N-substituted imidazoles","chemont_id":"CHEMONTID:0002311","description":"Heterocyclic compounds containing an imidazole ring substituted at position 1."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000510","name":"Thioamides","chemont_id":"CHEMONTID:0000510","description":"Organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001670","name":"Tertiary alcohols","chemont_id":"CHEMONTID:0001670","description":"Compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H )."},{"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/C0002352","name":"Thioenol ethers","chemont_id":"CHEMONTID:0002352","description":"Compounds containing the enol ether functional group, with the formula R3SCR2=CR1."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001663","name":"Secondary carboxylic acid amides","chemont_id":"CHEMONTID:0001663","description":"Compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000160","name":"Lactams","chemont_id":"CHEMONTID:0000160","description":"Compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring)."},{"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/C0001230","name":"Thiocarboxylic acid amides","chemont_id":"CHEMONTID:0001230","description":"Organic compounds containing an amide of thiocarboxylic acid, with the general structure R1C(=S)N(R2)R3 (R1-R3=H, alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003862","name":"Dialkylthioethers","chemont_id":"CHEMONTID:0003862","description":"Organosulfur compounds containing a thioether group that is substituted by two alkyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003260","name":"Sulfenyl compounds","chemont_id":"CHEMONTID:0003260","description":"Organosulfur compounds a sulfenyl group with the general formula RS (R = organyl)."},{"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/C0003073","name":"Aromatic alcohols","chemont_id":"CHEMONTID:0003073","description":"Compounds containing an alcohol group attached to an aromatic carbon."},{"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001198","name":"Thiocarbonyl compounds","chemont_id":"CHEMONTID:0001198","description":"Organic compounds containing a functional group with the general structure R1C(=S)R2 (R1, R2=H, alkyl, aryl)."},{"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/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003609","name":"Organic cations","chemont_id":"CHEMONTID:0003609","description":"Organic compounds with a positive electric charge."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["cyclic peptide (CHEBI:23449)","azamacrocycle (CHEBI:52898)","N-acyl-amino acid (CHEBI:51569)","amino acid amide (CHEBI:22475)","alanine derivative (CHEBI:22278)","beta-hydroxy ketone (CHEBI:55380)","fatty amide (CHEBI:29348)","imidazoles (CHEBI:24780)","thiocarboxamide (CHEBI:47956)","tertiary alcohol (CHEBI:26878)","organic aromatic compound (CHEBI:33659)","organic sulfide (CHEBI:16385)","carboxamide (CHEBI:37622)","lactam (CHEBI:24995)","secondary alcohol (CHEBI:35681)","aliphatic sulfide (CHEBI:22327)","organosulfur compound (CHEBI:33261)","organonitrogen heterocyclic compound (CHEBI:38101)","aromatic alcohol (CHEBI:33854)","organic molecule (CHEBI:72695)","thiocarbonyl compound (CHEBI:50492)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic cation (CHEBI:25697)","oligopeptide (CHEBI:25676)","chemical entity (CHEBI:24431)","organic acid (CHEBI:64709)","carboxylic acid (CHEBI:33575)","carbonyl compound (CHEBI:36586)","peptide (CHEBI:16670)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","ketone (CHEBI:17087)","lipid (CHEBI:18059)","organic heterocyclic compound (CHEBI:24532)","azole (CHEBI:68452)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","amide (CHEBI:32988)","thiocarboxylic acid (CHEBI:33307)","nitrogen molecular entity (CHEBI:51143)","amino acid (CHEBI:33709)"],"classification_version":"2.1","predicted_lipidmaps_terms":["N-acyl amines (FA0802)","Fatty Acyls (FA)","Fatty amides (FA08)"]},"npclassifier":{"isglycoside":false,"class_results":["Cyclic peptides","RiPPs"],"pathway_results":["Amino acids and Peptides"],"superclass_results":["Oligopeptides"]}}