2,4,4-trimethyl-3-oxopentanoyl-coa
- Other Name: 2,4,4-Trimethyl-3-oxopentanoyl-CoA
- InChIKey: KEMOPGZOWQCHCT-PTUWPOBESA-N
- InChI: InChI=1S/C29H48N7O18P3S/c1-15(21(39)28(2,3)4)27(42)58-10-9-31-17(37)7-8-32-25(41)22(40)29(5,6)12-51-57(48,49)54-56(46,47)50-11-16-20(53-55(43,44)45)19(38)26(52-16)36-14-35-18-23(30)33-13-34-24(18)36/h13-16,19-20,22,26,38,40H,7-12H2,1-6H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t15?,16-,19-,20-,22+,26-/m1/s1
- SMILES: CC(C(=O)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: 907.19894
- Molecular Formula: C29H48N7O18P3S
-
Compound CID:
16061369
16061369
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.