17-Demethoxy-12-O-demethyl-17-((2-(dimethylamino)ethyl)amino) geldanamycin
- InChIKey: XHDVGFMTDZHEFC-KWBXMQLWSA-N
- InChI: InChI=1S/C31H46N4O8/c1-17-13-21-26(33-11-12-35(5)6)23(36)16-22(28(21)39)34-30(40)18(2)9-8-10-25(42-7)29(43-31(32)41)20(4)15-19(3)27(38)24(37)14-17/h8-10,15-17,19,24-25,27,29,33,37-38H,11-14H2,1-7H3,(H2,32,41)(H,34,40)/b10-8-,18-9+,20-15+/t17-,19+,24+,25+,27-,29+/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)\C)C)O)O
- Exact Mass: 602.33156
- Molecular Formula: C31H46N4O8
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Compound CID:
118753148
118753148
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.