metabolite m5
- Other Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[3-(3-methoxypropoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
- InChIKey: UXQBXBKZZSXTDC-ABCLQQFUSA-N
- InChI: InChI=1S/C35H61N3O11/c1-19(2)22(15-24(36)25(40)16-23(20(3)4)32(44)38-18-35(5,6)34(37)45)13-21-9-10-26(27(14-21)47-12-8-11-46-7)48-33-31(43)30(42)29(41)28(17-39)49-33/h9-10,14,19-20,22-25,28-31,33,39-43H,8,11-13,15-18,36H2,1-7H3,(H2,37,45)(H,38,44)/t22-,23-,24-,25-,28+,29+,30-,31+,33+/m0/s1
- SMILES: CC(C)[C@@H](CC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
- Exact Mass: 699.43061
- Molecular Formula: C35H61N3O11
-
Compound CID:
118752975
118752975
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.