c.i. direct brown 95
- Other Name: C.I. Direct Brown 95
- InChIKey: HZBTZQVWJPRVDN-UHFFFAOYSA-J
- InChI: InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4
- SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC(=C3[O-])N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])[O-])O)N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+].[Cu+2]
- Exact Mass: 758.99473
- Molecular Formula: C31H18CuN6Na2O9S
-
Compound CID:
135585372
135585372
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.