empagliflozin-3-glucuronide (m626/3)
- Other Name: Empagliflozin-3-glucuronide (M626/3)
- InChIKey: BQXKIDMRXJXROR-OXVODCAPSA-N
- InChI: InChI=1S/C29H35ClO13/c30-18-6-3-14(10-15(18)9-13-1-4-16(5-2-13)40-17-7-8-39-12-17)25-24(36)26(20(32)19(11-31)41-25)42-29-23(35)21(33)22(34)27(43-29)28(37)38/h1-6,10,17,19-27,29,31-36H,7-9,11-12H2,(H,37,38)/t17-,19+,20+,21-,22-,23+,24-,25-,26?,27-,29?/m0/s1
- SMILES: C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)Cl
- Exact Mass: 626.17662
- Molecular Formula: C29H35ClO13
-
Compound CID:
169501808
169501808
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.