(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(4-(2-(4-(2-((r)-2-hydroxy-2-phenylethylamino)ethyl)phenylamino)-2-oxoethyl)thiazol-2-ylamino)tetrahydro-2h-pyran-2-carboxylic acid formate
- Other Name: formic acid;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-[2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]oxane-2-carboxylic acid
- InChIKey: JJBAOMHNEDLWDN-CELOKBOESA-N
- InChI: InChI=1S/C27H32N4O8S.CH2O2/c32-19(16-4-2-1-3-5-16)13-28-11-10-15-6-8-17(9-7-15)29-20(33)12-18-14-40-27(30-18)31-25-23(36)21(34)22(35)24(39-25)26(37)38;2-1-3/h1-9,14,19,21-25,28,32,34-36H,10-13H2,(H,29,33)(H,30,31)(H,37,38);1H,(H,2,3)/t19-,21-,22-,23+,24-,25+;/m0./s1
- SMILES: C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O.C(=O)O
- Exact Mass: 618.19956
- Molecular Formula: C28H34N4O10S
-
Compound CID:
118753477
118753477
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.