Xjf8ymc8PW
- InChIKey: NYKPDYBURBVURM-RIUHITKLSA-N
- InChI: InChI=1S/C44H60N4O11/c1-21(2)19-48-16-14-44(15-17-48)46-32-29-30-38(53)26(7)40-31(29)41(55)43(8,59-40)58-18-13-28(57-9)24(5)36(51)25(6)37(52)27(20-49)35(50)22(3)11-10-12-23(4)42(56)45-34(39(30)54)33(32)47-44/h10-13,18,21-22,24-25,27-28,35-37,49-54H,14-17,19-20H2,1-9H3,(H,45,56)/b11-10+,18-13+,23-12-/t22-,24+,25-,27+,28-,35-,36+,37-,43-/m0/s1
- SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)CO)O)C)O)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)/C
- Exact Mass: 820.42586
- Molecular Formula: C44H60N4O11
-
Compound CID:
137630928
137630928
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.