rifabutin
- Other Name: [(7S,9Z,11S,12S,13S,14S,15R,16S,17R,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-27,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
- InChIKey: GMNBRWFTOWGTLT-IIZAPRFLSA-N
- InChI: InChI=1S/C47H63N3O11/c1-23(2)22-50-18-16-47(17-19-50)48-37-31-21-32(52)24(3)13-12-14-25(4)39(53)27(6)40(54)28(7)43(60-30(9)51)26(5)33(58-11)15-20-59-46(10)45(57)36-34(38(37)49-47)35(42(31)56)41(55)29(8)44(36)61-46/h12-15,20,23,25-28,33,39-40,43,53-56H,16-19,21-22H2,1-11H3/b14-12+,20-15-,24-13-/t25-,26-,27-,28-,33-,39+,40+,43+,46-/m0/s1
- SMILES: C[C@H]1/C=C/C=C(\C(=O)CC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C\[C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@H]([C@@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)/C
- Exact Mass: 845.44626
- Molecular Formula: C47H63N3O11
-
Compound CID:
154699533
154699533
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.