17-Demethoxy-17-((2-(dimethylamino)-1-hydroxyethyl)amino) geldanamycin
- InChIKey: HFPIRAYJPQBHGB-SMBYFMJGSA-N
- InChI: InChI=1S/C32H48N4O9/c1-17-12-21-27(35-26(38)16-36(5)6)23(37)15-22(29(21)40)34-31(41)18(2)10-9-11-24(43-7)30(45-32(33)42)20(4)14-19(3)28(39)25(13-17)44-8/h9-11,14-15,17,19,24-26,28,30,35,38-39H,12-13,16H2,1-8H3,(H2,33,42)(H,34,41)/b11-9-,18-10+,20-14+/t17-,19+,24+,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)NC(CN(C)C)O)/C)OC)OC(=O)N)\C)C)O)OC
- Exact Mass: 632.34213
- Molecular Formula: C32H48N4O9
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Compound CID:
118753147
118753147
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.