n-nitroso mab 1a
- Other Name: N-nitroso MAB 1a
- InChIKey: SNJHGCNFTHLYPV-NSBHKLITSA-N
- InChI: InChI=1S/C49H74N2O14/c1-12-26(2)44-29(5)18-19-48(65-44)24-35-21-34(64-48)17-16-28(4)43(27(3)14-13-15-33-25-58-46-42(52)30(6)20-36(47(53)61-35)49(33,46)54)62-40-23-38(57-11)45(32(8)60-40)63-39-22-37(56-10)41(31(7)59-39)51(9)50-55/h13-16,18-20,26-27,29,31-32,34-46,52,54H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/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)N(C)N=O)OC)OC)\C)C
- Exact Mass: 914.51401
- Molecular Formula: C49H74N2O14
-
Compound CID:
139597118
139597118
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.