8a-oxo mab 1a
- Other Name: 8a-oxo MAB 1a
- InChIKey: FUFUHSRLCWSVRQ-BRZRQONBSA-N
- InChI: InChI=1S/C49H73NO14/c1-12-25(2)43-28(5)18-19-48(64-43)24-33-21-32(63-48)17-16-27(4)42(26(3)14-13-15-34-46(52)62-45-41(51)29(6)20-35(47(53)59-33)49(34,45)54)60-39-23-37(56-11)44(31(8)58-39)61-38-22-36(55-10)40(50-9)30(7)57-38/h13-16,18-20,25-26,28,30-33,35-45,50-51,54H,12,17,21-24H2,1-11H3/b14-13+,27-16+,34-15+/t25-,26-,28-,30-,31-,32+,33-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,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\C(=O)O[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)OC)OC)\C)C
- Exact Mass: 899.50311
- Molecular Formula: C49H73NO14
-
Compound CID:
139594977
139594977
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.