(E)-6-((5R,7S,10S,13R,14R,17R)-2,7-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(hydroxymethyl)-4-oxohept-5-enoic acid
- Other Name: 6-[(5R,7S,10S,13R,14R,17R)-2,7-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-(hydroxymethyl)-4-oxoheptanoic acid
- InChIKey: BKOSGCGOQWCRKA-DQXAPYKYSA-N
- InChI: InChI=1S/C30H42O9/c1-14(7-16(32)8-15(13-31)26(38)39)17-9-22(36)30(6)24-18(33)10-21-27(2,3)25(37)20(35)11-28(21,4)23(24)19(34)12-29(17,30)5/h14-15,17-18,20-21,31,33,35H,7-13H2,1-6H3,(H,38,39)/t14?,15?,17-,18+,20?,21+,28+,29-,30+/m1/s1
- SMILES: CC(CC(=O)CC(CO)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC(C(=O)C4(C)C)O)C)O)C)C
- Exact Mass: 546.28288
- Molecular Formula: C30H42O9
-
Compound CID:
137656563
137656563
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.