2-(1-hydroxyethyl)-2-methylsuccinimide glucuronide
- Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(3-methyl-2,5-dioxopyrrolidin-3-yl)ethoxy]oxane-2-carboxylic acid
- InChIKey: UBLIWLUOIQLNEZ-ATGKHEOOSA-N
- InChI: InChI=1S/C13H19NO9/c1-13(4-5(15)14-12(13)21)2-3-22-11-8(18)6(16)7(17)9(23-11)10(19)20/h6-9,11,16-18H,2-4H2,1H3,(H,19,20)(H,14,15,21)/t6-,7-,8+,9-,11?,13?/m0/s1
- SMILES: CC1(CC(=O)NC1=O)CCOC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
- Exact Mass: 333.10598
- Molecular Formula: C13H19NO9
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Compound CID:
118753598
118753598
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.