[(19Z,21Z)-2,11,15,17,32-pentahydroxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-27,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
- InChIKey: XOUSJMYWSZKAJD-MDQZGSPOSA-N
- InChI: InChI=1S/C46H61N3O11/c1-22(2)21-49-17-15-46(16-18-49)47-36-30-20-32(52)23(3)12-11-13-24(4)38(53)26(6)39(54)27(7)42(59-29(9)50)25(5)31(51)14-19-58-45(10)44(57)35-33(37(36)48-46)34(41(30)56)40(55)28(8)43(35)60-45/h11-14,19,22,24-27,31,38-39,42,51,53-56H,15-18,20-21H2,1-10H3/b13-11-,19-14?,23-12-
- SMILES: CC1/C=C\C=C(/C(=O)CC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)O)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)\C
- Exact Mass: 831.43061
- Molecular Formula: C46H61N3O11
-
Compound CID:
154699971
154699971
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.