{"id":22820,"npaid":"NPA022820","original_name":"Linearmycin C","mol_formula":"C67H105NO16","mol_weight":"1180.5680","exact_mass":"1179.7433","inchikey":"UDHUSHDWZRJLRJ-SGLVRUAKSA-N","smiles":"CC(/C=C/CC/C=C/C=C/C=C/C=C/C=C(\\C)/C(=O)O)C(C(C)C(/C=C/C=C/C=C/C=C/C=C/CC(C(C)C(=O)CC(CC(CC(/C=C/CC(CC(CC(CC(/C=C/CC(/C=C/CC(CC(CCCCN)O)O)O)O)O)O)O)O)O)O)O)O)O","cluster_id":892,"node_id":773,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C67H105NO16/c1-49(30-21-17-13-9-6-5-7-10-14-18-22-31-50(2)67(83)84)66(82)52(4)64(80)40-24-20-16-12-8-11-15-19-23-39-63(79)51(3)65(81)48-62(78)47-61(77)45-58(74)38-29-37-57(73)44-60(76)46-59(75)43-56(72)36-28-34-53(69)33-27-35-55(71)42-54(70)32-25-26-41-68/h5-12,14-16,18-24,27-31,33,36,38,40,49,51-64,66,69-80,82H,13,17,25-26,32,34-35,37,39,41-48,68H2,1-4H3,(H,83,84)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,30-21+,33-27+,36-28+,38-29+,40-24+,50-31+","m_plus_h":"1180.7506","m_plus_na":"1202.7325","origin_reference":{"doi":"10.1016/j.chembiol.2017.08.008","pmid":28919037,"authors":"Hoefler, B. Christopher; Stubbendieck, Reed M.; Josyula, N. Kalyani; Moisan, Sabrina M.; Schulze, Emma M.; Straight, Paul D.","title":"A Link between Linearmycin Biosynthesis and Extracellular Vesicle Genesis Connects Specialized Metabolism and Bacterial Membrane Physiology","journal":"Cell Chemical Biology","year":2017,"volume":"24","issue":"10","pages":"1238-7,1249"},"origin_organism":{"id":7561,"type":"Bacterium","genus":"Streptomyces","species":"sp. 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However, branches other than methyl may be present."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000341","name":"Hydroxy fatty acids","chemont_id":"CHEMONTID:0000341","description":"Fatty acids in which the chain bears a hydroxyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000489","name":"Amino fatty acids","chemont_id":"CHEMONTID:0000489","description":"Fatty acids containing an amine group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000339","name":"Unsaturated fatty acids","chemont_id":"CHEMONTID:0000339","description":"Fatty acids with a chain that contains at least one CC double bond."},{"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/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/C0004176","name":"Amino acids","chemont_id":"CHEMONTID:0004176","description":"Organic compounds that contain at least one carboxyl group and one amino group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001137","name":"Monocarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001137","description":"Carboxylic acids containing exactly one carboxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001205","name":"Carboxylic acids","chemont_id":"CHEMONTID:0001205","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH."},{"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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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic acyclic compounds","external_descriptors":[],"predicted_chebi_terms":["methyl-branched fatty acid (CHEBI:62499)","hydroxy fatty acid (CHEBI:24654)","amino fatty acid (CHEBI:59650)","unsaturated fatty acid (CHEBI:27208)","beta-hydroxy ketone (CHEBI:55380)","secondary alcohol (CHEBI:35681)","amino acid (CHEBI:33709)","polyol (CHEBI:26191)","carbonyl compound (CHEBI:36586)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organic oxide (CHEBI:25701)","alkylamine (CHEBI:13759)","organic molecule (CHEBI:72695)","very long-chain fatty acid (CHEBI:27283)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","organooxygen compound (CHEBI:36963)","monocarboxylic acid (CHEBI:25384)","branched-chain fatty acid (CHEBI:35819)","oxygen molecular entity (CHEBI:25806)","ketone (CHEBI:17087)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","peptide (CHEBI:16670)","organonitrogen compound (CHEBI:35352)","nitrogen molecular entity (CHEBI:51143)","amine (CHEBI:32952)","primary amine (CHEBI:32877)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Branched fatty acids (FA0102)","Hydroxy fatty acids (FA0105)","Amino fatty acids (FA0110)","Unsaturated fatty acids (FA0103)","Fatty Acids and Conjugates (FA01)","Fatty Acyls (FA)"]},"npclassifier":{"isglycoside":false,"class_results":["Open-chain polyketides"],"pathway_results":["Polyketides"],"superclass_results":["Linear polyketides"]}}