benzylpenicillin_m7
- Other Name: (2R,4S)-2-[(1R)-2-[[2-[(2-amino-2-carboxyethyl)disulfanyl]-1-carboxyethyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- InChIKey: UGSJWQXVINJFOC-CBXQNYCLSA-N
- InChI: InChI=1S/C22H30N4O8S3/c1-22(2)16(21(33)34)26-18(37-22)15(25-14(27)8-11-6-4-3-5-7-11)17(28)24-13(20(31)32)10-36-35-9-12(23)19(29)30/h3-7,12-13,15-16,18,26H,8-10,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32)(H,33,34)/t12?,13?,15-,16+,18-/m1/s1
- SMILES: CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NC(CSSCC(C(=O)O)N)C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C
- Exact Mass: 574.12258
- Molecular Formula: C22H30N4O8S3
-
Compound CID:
102263598
102263598
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.