30-ethyl-12-(2-hydroxyethoxymethyl)-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,15,19,25,28-heptamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- InChIKey: WZXLDFUTSRQGBK-WJTDDFOZSA-N
- InChI: InChI=1S/C63H113N11O14/c1-23-25-26-41(15)53(77)52-58(82)65-43(24-2)59(83)69(17)33-49(76)70(18)46(30-36(5)6)57(81)68-50(39(11)12)62(86)72(20)47(31-37(7)8)55(79)64-42(16)54(78)67-45(34-88-28-27-75)61(85)71(19)48(32-38(9)10)56(80)66-44(29-35(3)4)60(84)73(21)51(40(13)14)63(87)74(52)22/h23,25,35-48,50-53,75,77H,24,26-34H2,1-22H3,(H,64,79)(H,65,82)(H,66,80)(H,67,78)(H,68,81)/b25-23+
- SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)CC(C)C)C)COCCO)C)CC(C)C)C)C(C)C)CC(C)C)C)C
- Exact Mass: 1247.84685
- Molecular Formula: C63H113N11O14
-
Compound CID:
154700071
154700071
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.