glutathionyl-brostallicin
- Other Name: (2S)-2-amino-5-[[(2R)-3-[2-bromo-3-[[5-[[5-[[5-[[5-[2-(diaminomethylideneamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: RMLABMNJFBPRJW-WIXBZOCESA-N
- InChI: InChI=1S/C40H52BrN15O11S/c1-53-15-21(9-27(53)35(62)45-7-8-46-40(43)44)49-37(64)29-11-23(17-55(29)3)51-38(65)30-12-22(16-56(30)4)50-36(63)28-10-20(14-54(28)2)48-33(60)24(41)18-68-19-26(34(61)47-13-32(58)59)52-31(57)6-5-25(42)39(66)67/h9-12,14-17,24-26H,5-8,13,18-19,42H2,1-4H3,(H,45,62)(H,47,61)(H,48,60)(H,49,64)(H,50,63)(H,51,65)(H,52,57)(H,58,59)(H,66,67)(H4,43,44,46)/t24?,25-,26-/m0/s1
- SMILES: CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)Br
- Exact Mass: 1029.28748
- Molecular Formula: C40H52BrN15O11S
-
Compound CID:
154699928
154699928
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.