metabolite m9
- Other Name: (3R,5S)-5-[(1S,3S)-1-amino-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one
- InChIKey: KCUIZDBXYKOADQ-KGSLCBSSSA-N
- InChI: InChI=1S/C25H41NO5/c1-16(2)19(14-21(26)23-15-20(17(3)4)25(27)31-23)12-18-8-9-22(29-6)24(13-18)30-11-7-10-28-5/h8-9,13,16-17,19-21,23H,7,10-12,14-15,26H2,1-6H3/t19-,20+,21-,23-/m0/s1
- SMILES: CC(C)[C@H]1C[C@H](OC1=O)[C@H](C[C@H](CC2=CC(=C(C=C2)OC)OCCCOC)C(C)C)N
- Exact Mass: 435.29847
- Molecular Formula: C25H41NO5
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Compound CID:
11539359
11539359
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.