barbiturate ring-opened derivatives of phenobarbitone-n-glucoside
- Other Name: (2S,3S,4S,5R)-6-[(2-carboxy-2-phenylbutanoyl)carbamoylamino]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: ZKGAFDIXCMJPIX-BJUOLHJISA-N
- InChI: InChI=1S/C18H22N2O10/c1-2-18(16(27)28,8-6-4-3-5-7-8)15(26)20-17(29)19-13-11(23)9(21)10(22)12(30-13)14(24)25/h3-7,9-13,21-23H,2H2,1H3,(H,24,25)(H,27,28)(H2,19,20,26,29)/t9-,10-,11+,12-,13?,18?/m0/s1
- SMILES: CCC(C1=CC=CC=C1)(C(=O)NC(=O)NC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)O
- Exact Mass: 426.12744
- Molecular Formula: C18H22N2O10
-
Compound CID:
169502274
169502274
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.