Desacetyl-N,O-didesmethyldiltiazem-glucuronide
- InChIKey: QCZDWZZUFRYLFG-OPDXAREPSA-N
- InChI: InChI=1S/C24H28N2O9S/c1-25-10-11-26-14-4-2-3-5-15(14)36-21(19(30)22(26)31)12-6-8-13(9-7-12)34-24-18(29)16(27)17(28)20(35-24)23(32)33/h2-9,16-21,24-25,27-30H,10-11H2,1H3,(H,32,33)/t16-,17-,18+,19+,20-,21-,24+/m0/s1
- SMILES: CNCCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 520.15155
- Molecular Formula: C24H28N2O9S
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Compound CID:
169502073
169502073
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.