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Masashi; Taga, Toru","title":"Structure of FK506, a novel immunosuppressant isolated from Streptomyces","journal":"Journal of the American Chemical Society","year":1987,"volume":"109","issue":"16","pages":"5031-5033"},"origin_organism":{"id":5529,"type":"Bacterium","genus":"Streptomyces","species":"tsukubaensis no. 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FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005730604%Massbank:EQ280705 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005731407%Massbank:EQ280708 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005731901%Massbank:EQ280709 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005731968%Massbank:EQ280703 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005732247%Massbank:EQ280706 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005733927%Massbank:EQ280702 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005734766%Massbank:EQ280701 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000572558%3%MoNA:603812&Tacrolimus"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005736390%Massbank:EQ280704 FK-506|Tacrolimus|(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28%3"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001900","name":"Macrolide 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["macrolide (CHEBI:25106)","alpha-amino acid ester (CHEBI:46874)","cyclohexanols (CHEBI:23480)","piperidines (CHEBI:26151)","oxanes (CHEBI:46942)","carboxamide (CHEBI:37622)","lactone (CHEBI:25000)","lactam (CHEBI:24995)","hemiacetal (CHEBI:5653)","cyclic ketone (CHEBI:3992)","organic hydroxy compound (CHEBI:33822)","carboxylic ester (CHEBI:33308)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","ether (CHEBI:25698)","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)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","oxygen molecular entity (CHEBI:25806)","polyol (CHEBI:26191)","alcohol (CHEBI:30879)","secondary alcohol (CHEBI:35681)","organic heterocyclic compound (CHEBI:24532)","amide (CHEBI:32988)","ketone (CHEBI:17087)","nitrogen molecular entity (CHEBI:51143)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Macrolides and lactone polyketides (PK04)"]},"npclassifier":{"isglycoside":true,"class_results":["Ascomycins and Rapamycins"],"pathway_results":["Polyketides"],"superclass_results":["Macrolides"]}}