fab 1a
- Other Name: 5-O-demethyl-4''-deoxy-4''-(formylamino)-Avermectin A1a
- InChIKey: CTOLTUCVXLWGDP-AUUJYYFLSA-N
- InChI: InChI=1S/C49H73NO14/c1-11-26(2)44-29(5)17-18-48(64-44)23-35-20-34(63-48)16-15-28(4)43(27(3)13-12-14-33-24-57-46-42(52)30(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-10)45(32(8)59-40)62-39-21-37(55-9)41(50-25-51)31(7)58-39/h12-15,17-19,25-27,29,31-32,34-46,52,54H,11,16,20-24H2,1-10H3,(H,50,51)/b13-12+,28-15+,33-14+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1
- SMILES: CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)NC=O)OC)OC)\C)C
- Exact Mass: 899.50311
- Molecular Formula: C49H73NO14
-
Compound CID:
139594621
139594621
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.