(2S,3S,4S,5R,6S)-6-(2-((2R,5S)-5-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-methyltetrahydrofuran-2-yl)propan-2-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6S)-6-[2-[(2R,5S)-5-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: IXJGZEZCKFQBLU-ULBLZTAMSA-N
- InChI: InChI=1S/C36H60O10/c1-31(2)20-10-15-34(6)21(33(20,5)13-11-22(31)38)17-19(37)24-18(9-14-35(24,34)7)36(8)16-12-23(45-36)32(3,4)46-30-27(41)25(39)26(40)28(44-30)29(42)43/h18-28,30,37-41H,9-17H2,1-8H3,(H,42,43)/t18-,19+,20-,21+,22-,23+,24-,25-,26-,27+,28-,30-,33-,34+,35+,36-/m0/s1
- SMILES: C[C@]1(CC[C@@H](O1)C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@H]3CC[C@@]4([C@@H]3[C@@H](C[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)O)C
- Exact Mass: 652.41865
- Molecular Formula: C36H60O10
-
Compound CID:
118753224
118753224
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.