chembl4525747
- Other Name: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxybutan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
- InChIKey: NZMLWOMSTXSMTL-LEJKDQSTSA-N
- InChI: InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8,33)16-12-23-26(3,4)34-23/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1
- SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@](C)(CC[C@@H]5C(O5)(C)C)O)C)O)C)(C)C)O
- Exact Mass: 476.38656
- Molecular Formula: C30H52O4
-
Compound CID:
155543821
155543821
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.