glucuronide conjugate metaboite
- Other Name: (2S)-2-amino-3-[3,5-diiodo-4-[3-iodo-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]phenyl]propanoic acid
- InChIKey: NQBXYROGWADTEP-BMIFTDJJSA-N
- InChI: InChI=1S/C21H22I3NO9/c22-10-6-9(32-19-11(23)3-8(4-12(19)24)5-13(25)20(30)31)1-2-14(10)33-21-18(29)17(28)16(27)15(7-26)34-21/h1-4,6,13,15-18,21,26-29H,5,7,25H2,(H,30,31)/t13-,15+,16+,17-,18+,21?/m0/s1
- SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Exact Mass: 812.84290
- Molecular Formula: C21H22I3NO9
-
Compound CID:
118753534
118753534
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.