HGMMX

Rifabutin

Type: Approved drug
PubChem: 135398743
DrugBank: DB00615
IUPAC: acetic acid [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxo-13-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]yl] ester
Standard InChI: InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36?/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1
Standard InChIKey: ZWBTYMGEBZUQTK-PVLSIAFMSA-N
SMILES: COC1C=COC2(C)OC3=C(C2=O)C2=C4NC5(CCN(CC(C)C)CC5)N=C4C(=NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(O)=C2C(O)=C3C
Metabolism-related information: No data
Reference: No data

Metabolites

Chemical Structure Metablite's name Reaction name Genus Species Reference
NoneUnknownUnknownGut microbiotaGut microbiota10.1016/j.cell.2020.05.001