RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136930 | |
|---|---|---|
| RefMet name | Polidocanol | |
| Systematic name | 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 582.434298 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C30H62O10 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 52449 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31 /h31H,2-30H2,1H3 | |
| InChIKey | ONJQDTZCDSESIW-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organic oxygen compounds | |
| Main Class | Organooxygen compounds | |
| Sub Class | Ethers | |
| Distribution of Polidocanol in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Polidocanol | |
| External Links | ||
| Pubchem CID | 656641 | |
| ChEBI ID | 46859 | |
| KEGG ID | C13493 | |
| HMDB ID | HMDB0256665 | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
