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more general categories information about this item 03. Biological Effects of Specific Chemicals 03. Biological Effects of Specific Chemicals immunomodulator [CHEBI:50846] (61) immunosuppressive agent [CHEBI:35705] (43) tacrolimus hydrate [CHEBI:61057] (1) 08. Chemical Category 08. Chemical Category polyatomic entity [CHEBI:36357] (18777) heteroatomic molecular entity [CHEBI:37577] (13672) addition compound [CHEBI:35504] (113) hydrate [CHEBI:35505] (111) tacrolimus hydrate [CHEBI:61057] (1) ChEBI Compound Accession Identifier: [CHEBI:61057] ChEBI Compound Description: A hydrate that is the monohydrate form of tacrolimus. ChEBI Compound Identification Number: 61057 ChEBI InChI Value: "InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1" ChEBI InChIKey Value: NWJQLQGQZSIBAF-MLAUYUEBSA-N ChEBI Compound Name: tacrolimus hydrate ChEBI SMILES Value: O.CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC)[C@H](C[C@H]2C)OC ChEBI Substance ID: 104222562 ChEBI URL: ChEBI:61057 ChemSpider ID: 4445484 Ontomatica Chemical Accession Key (OnChAKey): NWJQLQGQZSIBAF_MLAUYUEBSA_N_000_000000 PubChem Compound ID: 5282315
