CANRENOATE GLUCURONIDE ESTER
- Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoyloxy]oxane-2-carboxylic acid
- InChIKey: DSXZYMJQBDTXAW-VVNNLPRQSA-N
- InChI: InChI=1S/C28H38O10/c1-26-9-5-15(29)13-14(26)3-4-16-17(26)6-10-27(2)18(16)7-11-28(27,36)12-8-19(30)37-25-22(33)20(31)21(32)23(38-25)24(34)35/h3-4,13,16-18,20-23,25,31-33,36H,5-12H2,1-2H3,(H,34,35)/t16-,17+,18+,20+,21+,22-,23+,25?,26+,27+,28-/m1/s1
- SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C
- Exact Mass: 534.24650
- Molecular Formula: C28H38O10
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Compound CID:
122196587
122196587
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.