benzylpenicillin_m6
- Other Name: (2S,3S,4S,5R,6R)-6-[(2R,4S)-2-[(R)-carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: PKQDPOZSOAILHJ-HBLHAUERSA-N
- InChI: InChI=1S/C22H28N2O11S/c1-22(2)16(20(33)35-21-14(28)12(26)13(27)15(34-21)19(31)32)24-17(36-22)11(18(29)30)23-10(25)8-9-6-4-3-5-7-9/h3-7,11-17,21,24,26-28H,8H2,1-2H3,(H,23,25)(H,29,30)(H,31,32)/t11-,12-,13-,14+,15-,16-,17+,21+/m0/s1
- SMILES: CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C
- Exact Mass: 528.14138
- Molecular Formula: C22H28N2O11S
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Compound CID:
118753555
118753555
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.