(2S,3S,4S,5R)-6-[[(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: KTJQPBFLZZUVHY-KUZWSSKFSA-N
- InChI: InChI=1S/C28H38O8/c1-4-27-13-14(3)20-17-9-7-16(35-26-23(31)21(29)22(30)24(36-26)25(32)33)12-15(17)6-8-18(20)19(27)10-11-28(27,34)5-2/h2,12,16-24,26,29-31,34H,3-4,6-11,13H2,1H3,(H,32,33)/t16?,17-,18-,19-,20+,21-,22-,23+,24-,26?,27-,28-/m0/s1
- SMILES: CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(CC[C@H]34)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
- Exact Mass: 502.25667
- Molecular Formula: C28H38O8
-
Compound CID:
154699750
154699750
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.