m-3
- Other Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-1-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- InChIKey: RXMRJLACDJCPSK-CXLZCUPKSA-N
- InChI: InChI=1S/C24H34O5/c1-13-10-17-18-7-9-24(14(2)25,29-15(3)26)22(18,4)8-6-19(17)23(5)20(13)11-16(27)12-21(23)28/h11,13,17-19,21,28H,6-10,12H2,1-5H3/t13-,17-,18-,19-,21?,22-,23+,24-/m0/s1
- SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4O)C)C)(C(=O)C)OC(=O)C
- Exact Mass: 402.24062
- Molecular Formula: C24H34O5
-
Compound CID:
131699380
131699380
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.