[(9Z,21E)-2,6,15,17-tetrahydroxy-16-(hydroxymethyl)-11-methoxy-3,7,12,14,18,22-hexamethyl-30-[4-(2-methylpropyl)piperazin-1-yl]-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
- InChIKey: HNEKUEDJYZJXGQ-XHYMALBCSA-N
- InChI: InChI=1S/C51H64N4O14/c1-24(2)22-54-15-17-55(18-16-54)31-20-33(58)39-35(21-31)68-48-40(52-39)36-37-44(61)29(7)47-38(36)49(63)51(9,69-47)66-19-14-34(65-10)27(5)46(67-30(8)57)28(6)43(60)32(23-56)42(59)25(3)12-11-13-26(4)50(64)53-41(48)45(37)62/h11-14,19-21,24-25,27-28,32,34,42-43,46,56,59-61,63H,15-18,22-23H2,1-10H3,(H,53,64)/b12-11?,19-14-,26-13+
- SMILES: CC1C=C/C=C(/C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C(C(O5)(O/C=C\C(C(C(C(C(C(C1O)CO)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCN(CC7)CC(C)C)O3)\C
- Exact Mass: 956.44190
- Molecular Formula: C51H64N4O14
-
Compound CID:
154699649
154699649
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.