ivermectin
- Other Name: (1S,4R,5'R,7S,8S,11E,13Z,15S,16S,17Z,20S,22S,26R)-7,26-dihydroxy-16-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6,15,17-trimethyl-5'-propan-2-ylspiro[2,21-dioxatetracyclo[18.3.2.14,8.011,26]hexacosa-5,11,13,17-tetraene-22,2'-oxane]-3-one
- InChIKey: QSENXEKZWYFFJK-YVDCTSJZSA-N
- InChI: InChI=1S/C48H74O13/c1-26(2)32-19-20-47(55-25-32)24-35-17-16-34(61-47)15-13-28(4)44(27(3)11-10-12-33-14-18-36-42(49)29(5)21-37(46(51)58-35)48(33,36)52)59-41-23-39(54-9)45(31(7)57-41)60-40-22-38(53-8)43(50)30(6)56-40/h10-13,21,26-27,30-32,34-45,49-50,52H,14-20,22-25H2,1-9H3/b11-10-,28-13-,33-12+/t27-,30-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,47-,48+/m0/s1
- SMILES: C[C@H]1/C=C\C=C\2/CC[C@@H]3[C@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4CC[C@@H](C/C=C(\[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)/C)O[C@]7(C4)CC[C@@H](CO7)C(C)C)O
- Exact Mass: 858.51294
- Molecular Formula: C48H74O13
-
Compound CID:
154699908
154699908
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.