HGMMX

9-Hydroxytacrolimus

Type: Metabolite
PubChem: None
DrugBank: None
IUPAC: None
Standard InChI: InChI=1S/C44H71NO12/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/h10,19,21,26,28-34,36-41,46-47,49,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31?,32-,33+,34-,36+,37-,38-,39+,40+,41?,44+/m0/s1
Standard InChIKey: DWPUUOUKZRAQHX-CMIWEXMTSA-N
SMILES: C=CCC1=CC(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(O)N3CCCCC3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC

Parent compounds

Chemical Structure Parent compounds name Reaction name Genus Species Reference
TacrolimusReductionGut microbiotaGut microbiota10.1016/bs.pmbts.2020.04.002