17-Demethoxy-17-((2-(dimethylamino)-1-hydroxyethyl)amino)-28,30-dihydroxy geldanamycin
- InChIKey: XMPLFHWBGPQLBU-WVMULNPOSA-N
- InChI: InChI=1S/C32H48N4O11/c1-17-8-7-9-24(45-5)30(47-32(33)44)18(2)10-20(16-38)28(41)25(46-6)12-19(15-37)11-21-27(35-26(40)14-36(3)4)23(39)13-22(29(21)42)34-31(17)43/h7-10,13,19-20,24-26,28,30,35,37-38,40-41H,11-12,14-16H2,1-6H3,(H2,33,44)(H,34,43)/b9-7-,17-8+,18-10+/t19-,20-,24+,25+,26?,28-,30+/m1/s1
- SMILES: C/C/1=C\C=C/[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C[C@@H](CC2=C(C(=O)C=C(C2=O)NC1=O)NC(CN(C)C)O)CO)OC)O)CO)/C)OC(=O)N)OC
- Exact Mass: 664.33196
- Molecular Formula: C32H48N4O11
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Compound CID:
118753267
118753267
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.