[(2r)-2-[[(4s)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-[4-(4-aminophenyl)sulfonylphenyl]-oxoazanium
- Other Name: [(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-[4-(4-aminophenyl)sulfonylphenyl]-oxoazanium
- InChIKey: GJQSVUVMIQMBMP-ROUUACIJSA-O
- InChI: InChI=1S/C22H25N5O9S2/c23-13-1-5-15(6-2-13)38(35,36)16-7-3-14(4-8-16)27(34)37-12-18(21(31)25-11-20(29)30)26-19(28)10-9-17(24)22(32)33/h1-8,17-18H,9-12,23-24H2,(H3-,25,26,28,29,30,31,32,33)/p+1/t17-,18-/m0/s1
- SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
- Exact Mass: 568.11719
- Molecular Formula: C22H26N5O9S2+
-
Compound CID:
154699911
154699911
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.