17-Demethoxy-17-((2-(dimethylamino)ethyl)amino)-27-hydroxygeldanamycin
- InChIKey: GKYPECVVIPYPRW-CCJULLHPSA-N
- InChI: InChI=1S/C32H48N4O9/c1-18-13-22-27(34-11-12-36(4)5)24(38)16-23(29(22)40)35-31(41)19(2)9-8-10-25(43-6)30(45-32(33)42)21(17-37)15-20(3)28(39)26(14-18)44-7/h8-10,15-16,18,20,25-26,28,30,34,37,39H,11-14,17H2,1-7H3,(H2,33,42)(H,35,41)/b10-8-,19-9+,21-15+/t18-,20+,25+,26+,28-,30+/m1/s1
- SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\CO)C)O)OC
- Exact Mass: 632.34213
- Molecular Formula: C32H48N4O9
-
Compound CID:
10153393
10153393
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.