sq-31,945
- Other Name: (3R,5R)-7-[(1S,2R,3S,5R,6S,8S,8aR)-3,4,5,6-tetrahydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
- InChIKey: QKTMHYRKOJXRLQ-AEIVNDRXSA-N
- InChI: InChI=1S/C23H38O10/c1-4-10(2)23(32)33-16-9-15(26)21(30)19-18(16)14(11(3)20(29)22(19)31)6-5-12(24)7-13(25)8-17(27)28/h10-16,18,20-21,24-26,29-31H,4-9H2,1-3H3,(H,27,28)/t10-,11+,12+,13+,14-,15-,16-,18-,20-,21-/m0/s1
- SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H]([C@@H](C2=C([C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)O)O)O)C)O)O)O)O
- Exact Mass: 474.24650
- Molecular Formula: C23H38O10
-
Compound CID:
122196598
122196598
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.