2,4,4-trimethylpent-2-enoyl-coa
- Other Name: 2,4,4-Trimethylpent-2-enoyl-CoA
- InChIKey: PKZUJSUVRZTEEH-VSPGSNOSSA-N
- InChI: InChI=1S/C29H48N7O17P3S/c1-16(11-28(2,3)4)27(41)57-10-9-31-18(37)7-8-32-25(40)22(39)29(5,6)13-50-56(47,48)53-55(45,46)49-12-17-21(52-54(42,43)44)20(38)26(51-17)36-15-35-19-23(30)33-14-34-24(19)36/h11,14-15,17,20-22,26,38-39H,7-10,12-13H2,1-6H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b16-11+/t17-,20-,21-,22+,26-/m1/s1
- SMILES: C/C(=C\C(C)(C)C)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
- Exact Mass: 891.20403
- Molecular Formula: C29H48N7O17P3S
-
Compound CID:
16061367
16061367
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.