{"id":30023,"npaid":"NPA030023","original_name":"Acyclolaxaphycin B","mol_formula":"C65H116N14O20","mol_weight":"1413.7210","exact_mass":"1412.8490","inchikey":"ARBTXEGGGLHUPG-FYHKVEBYSA-N","smiles":"CCCCCCC[C@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](O)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](C)N)[C@@H](O)C(C)C)[C@@H](O)C(N)=O)[C@@H](C)O)[C@@H](C)O","cluster_id":8809,"node_id":5943,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C65H116N14O20/c1-16-18-19-20-21-23-38(29-43(83)72-44(31(5)6)58(91)77-49(65(98)99)52(85)33(9)10)69-59(92)45(36(13)80)73-56(89)40(28-30(3)4)71-57(90)41-24-22-27-79(41)64(97)46(37(14)81)74-61(94)48(53(86)54(68)87)76-62(95)50(34(11)17-2)78(15)63(96)39(25-26-42(67)82)70-60(93)47(51(84)32(7)8)75-55(88)35(12)66/h30-41,44-53,80-81,84-86H,16-29,66H2,1-15H3,(H2,67,82)(H2,68,87)(H,69,92)(H,70,93)(H,71,90)(H,72,83)(H,73,89)(H,74,94)(H,75,88)(H,76,95)(H,77,91)(H,98,99)/t34-,35-,36+,37+,38+,39-,40+,41-,44-,45-,46-,47+,48+,49+,50-,51-,52-,53+/m0/s1","m_plus_h":"1413.8563","m_plus_na":"1435.8382","origin_reference":{"doi":"10.3390/md13127065","pmid":26690181,"authors":"Bornancin, L; Boyaud, F; Mahiout, Z; Bonnard, I; Mills, SC; Banaigs, B; Inguimbert, N","title":"Isolation and Synthesis of Laxaphycin B-Type Peptides: A Case Study and Clues to Their Biosynthesis.","journal":"Marine Drugs","year":2015,"volume":"13","issue":"12","pages":"7285-7300"},"origin_organism":{"id":9412,"type":"Bacterium","genus":"Anabaena","species":"torulosa","taxon":{"id":421,"name":"Anabaena","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1163,"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":419,"name":"Nostocales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1161},{"id":420,"name":"Aphanizomenonaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892259}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/md13127065","structure_smiles":"CCCCCCC[C@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](O)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](C)N)[C@@H](O)C(C)C)[C@@H](O)C(N)=O)[C@@H](C)O)[C@@H](C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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":"CCCCCCC[C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](C)N)[C@@H](O)C(C)C)[C@@H](O)C(N)=O)[C@@H](C)O)[C@@H](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=ARBTXEGGGLHUPG-FYHKVEBYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002010","name":"Hybrid peptides","chemont_id":"CHEMONTID:0002010","description":"Compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond."},"ancestors":["Alanine and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Asparagine and derivatives","Azacyclic compounds","Beta amino acids and derivatives","Beta hydroxy acids and derivatives","Branched fatty acids","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dipeptides","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Glutamine and derivatives","Heterocyclic fatty acids","Hybrid peptides","Hydrocarbon derivatives","Hydroxy acids and derivatives","Hydroxy fatty acids","Isoleucine and derivatives","Leucine and derivatives","Lipids and lipid-like molecules","Methyl-branched fatty acids","Monoalkylamines","Monocarboxylic acids and derivatives","Monosaccharides","N-acyl amines","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Peptidomimetics","Primary amines","Primary carboxylic acid amides","Proline and derivatives","Pyrrolidine carboxylic acids and derivatives","Pyrrolidinecarboxamides","Pyrrolidines","Secondary alcohols","Secondary carboxylic acid amides","Short-chain hydroxy acids and derivatives","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 hybrid peptides. 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amide","Secondary alcohol","Primary carboxylic acid amide","Carboxamide group","Amino acid or derivatives","Azacycle","Organoheterocyclic compound","Monocarboxylic acid or derivatives","Carboxylic acid","Carboxylic acid derivative","Organic nitrogen compound","Organic oxygen compound","Organopnictogen compound","Organic oxide","Hydrocarbon derivative","Primary amine","Organooxygen compound","Organonitrogen compound","Primary aliphatic amine","Carbonyl group","Amine","Alcohol","Aliphatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002010","name":"Hybrid peptides","chemont_id":"CHEMONTID:0002010","description":"Compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004830","name":"Dipeptides","chemont_id":"CHEMONTID:0004830","description":"Organic 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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"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/C0000469","name":"Monoalkylamines","chemont_id":"CHEMONTID:0000469","description":"Organic compounds containing an primary aliphatic amine group."},{"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. 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