{"id":20945,"npaid":"NPA020945","original_name":"Mycoplanecin A","mol_formula":"C61H102N10O13","mol_weight":"1183.5440","exact_mass":"1182.7628","inchikey":"ICFLLAYTOVAMGO-ORZQNBSVSA-N","smiles":"CC[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)[C@H]2[C@H](OC(=O)CNC(=O)[C@@H](N(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H]4C[C@H](CN4C(=O)[C@H](NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C","cluster_id":6572,"node_id":96,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C61H102N10O13/c1-19-40-29-46(71(32-40)61(83)50(37(11)12)67(17)59(81)47(72)20-2)58(80)68(18)51-39(14)84-48(73)30-62-52(74)44(27-35(7)8)65(15)57(79)43-22-21-25-69(43)60(82)49(36(9)10)66(16)55(77)41(24-23-33(3)4)63-53(75)45-28-38(13)31-70(45)56(78)42(26-34(5)6)64-54(51)76/h33-46,49-51H,19-32H2,1-18H3,(H,62,74)(H,63,75)(H,64,76)/t38-,39-,40+,41+,42-,43+,44+,45-,46+,49+,50+,51+/m1/s1","m_plus_h":"1183.7701","m_plus_na":"1205.7520","origin_reference":{"doi":"10.7164/antibiotics.36.961","pmid":6630066,"authors":"Nakajima M; Torikata A; Ichikawa Y; Katayama T; Shiraishi A; Haneishi T; Arai M","title":"Mycoplanecins, novel antimycobacterial antibiotics from Actinoplanes awajinensis subsp. mycoplanecinus subsp. nov. II. Isolation, physico-chemical characterization and biological activities of mycoplanecin A.","journal":"Journal of Antibiotics","year":1983,"volume":"36","issue":"8","pages":"961-966"},"origin_organism":{"id":6173,"type":"Bacterium","genus":"Actinoplanes","species":"awajinensis subsp. mycoplanecinus subsp. nov. No. 41042","taxon":{"id":248,"name":"Actinoplanes","rank":"genus","taxon_db":"lpsn","external_id":"515039","ncbi_id":1865,"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":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.36.961","structure_smiles":"CC[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)[C@H]2[C@H](OC(=O)CNC(=O)[C@@H](N(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H]4C[C@H](CN4C(=O)[C@H](NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0021912"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"[H][C@@](C(C)C)(N(C)C(=O)C(=O)CC)C(=O)N1C[C@@]([H])(CC)C[C@@]1([H])C(=O)N(C)[C@]1([H])C(O)=N[C@]([H])(CC(C)C)C(=O)N2C[C@]([H])(C)C[C@]2([H])C(O)=N[C@@]([H])(CCC(C)C)C(=O)N(C)[C@@]([H])(C(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N(C)[C@@]([H])(CC(C)C)C(O)=NCC(=O)O[C@]1([H])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=ICFLLAYTOVAMGO-ORZQNBSVSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["Alcohols and polyols","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic carboximidic acids","Cyclic depsipeptides","Depsipeptides","Dipeptides","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Ketones","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","Macrolides and analogues","Monocarboxylic acids and derivatives","N-acyl amines","N-acylpyrrolidines","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptides","Peptidomimetics","Phenylpropanoids and polyketides","Polyols","Proline and derivatives","Propargyl-type 1,3-dipolar organic compounds","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Tertiary carboxylic acid amides","Valine and derivatives"],"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 cyclic depsipeptides. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["dipeptide (CHEBI:46761)","valine derivative (CHEBI:27267)","proline derivative (CHEBI:26273)","macrolide (CHEBI:25106)","azamacrocycle (CHEBI:52898)","alpha-amino acid ester (CHEBI:46874)","amino acid amide (CHEBI:22475)","pyrrolidinecarboxamide (CHEBI:46770)","N-acylpyrrolidine (CHEBI:46766)","fatty amide (CHEBI:29348)","carboxamide (CHEBI:37622)","carboximidic acid (CHEBI:48378)","lactone (CHEBI:25000)","lactam (CHEBI:24995)","ketone (CHEBI:17087)","carboxylic ester (CHEBI:33308)","dipolar compound (CHEBI:51151)","polyol (CHEBI:26191)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","organonitrogen heterocyclic compound (CHEBI:38101)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","cyclodepsipeptide (CHEBI:35213)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","organic heterocyclic compound (CHEBI:24532)","pyrrolidines (CHEBI:38260)","lipid (CHEBI:18059)","amide (CHEBI:32988)","oxygen molecular entity (CHEBI:25806)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)","peptidomimetic (CHEBI:63175)","depsipeptide (CHEBI:23643)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Macrolides and lactone polyketides (PK04)","N-acyl amines (FA0802)","Fatty Acyls (FA)","Fatty amides (FA08)"]},"npclassifier":{"isglycoside":false,"class_results":["Cyclic peptides","Depsipeptides"],"pathway_results":["Amino acids and Peptides","Polyketides"],"superclass_results":["Oligopeptides"]}}