monocarboxylic acid derivative
- Other Name: Mitoxantrone carboxylic acid
- InChIKey: ATIAHAUGEJHHNT-UHFFFAOYSA-N
- InChI: InChI=1S/C22H26N4O7/c27-10-9-23-5-7-25-12-1-2-13(26-8-6-24-11-16(30)31)18-17(12)21(32)19-14(28)3-4-15(29)20(19)22(18)33/h1-4,23-29H,5-11H2,(H,30,31)
- SMILES: C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCC(=O)O
- Exact Mass: 458.18015
- Molecular Formula: C22H26N4O7
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Compound CID:
126803
126803
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.