chembl4525791
- Other Name: (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11,19-dihydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
- InChIKey: ITHXPNLMNQYZMN-HUQLGDQKSA-N
- InChI: InChI=1S/C24H31FO7/c1-20(2)31-18-8-14-13-9-23(25,30)16-7-12(27)5-6-21(16,3)19(13)15(28)10-22(14,4)24(18,32-20)17(29)11-26/h5-7,13-15,18-19,26,28,30H,8-11H2,1-4H3/t13-,14-,15-,18+,19+,21-,22-,23+,24+/m0/s1
- SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@](C5=CC(=O)C=C[C@]35C)(O)F)O
- Exact Mass: 450.20538
- Molecular Formula: C24H31FO7
-
Compound CID:
155543704
155543704
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.