(E)-6-((5R,7S,10S,13R,14R,17R)-2,7-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-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-hydroxy-2-methyl-4-oxohept-5-enoic acid
- Other Name: 6-[(5R,7S,10S,13R,14R,17R)-2,7-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-2-methyl-4-oxoheptanoic acid
- InChIKey: SKGSIAKZQNLEHL-HTAUGYGNSA-N
- InChI: InChI=1S/C30H42O10/c1-14(7-15(32)10-29(5,40)25(38)39)16-8-21(36)30(6)23-17(33)9-20-26(2,22(23)18(34)12-28(16,30)4)11-19(35)24(37)27(20,3)13-31/h14,16-17,19-20,31,33,35,40H,7-13H2,1-6H3,(H,38,39)/t14?,16-,17+,19?,20-,26+,27?,28-,29?,30+/m1/s1
- SMILES: CC(CC(=O)CC(C)(C(=O)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)CO)O)C)O)C)C
- Exact Mass: 562.27780
- Molecular Formula: C30H42O10
-
Compound CID:
137656566
137656566
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.