2-Thio-acetyl MAGE
4718
Reference
2-Thio-acetyl MAGE Structure
Systematic / IUPAC Name: S-[(2R)-1-(Hexadecyloxy)-3-hydroxy-2-propanyl] ethanethioate
ID: Reference4718
Other Names:
2-Thioacetyl MAGE ;
Ethanethioic acid, S-[(1R)-2-(hexadecyloxy)-1-(hydroxymethyl)ethyl] ester
Formula: C21H42O3S
Class: Endogenous Metabolites
Spectral Data
2-Thio-acetyl MAGE mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 188 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 4/29/2016 12:52:51 PM |
Identificators
| InChI | InChI=1S/C21H42O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3/t21-/m1/s1 |
| InChI Key | SJNRNWWBXZOALQ-OAQYLSRUSA-N |
| Canonical SMILES | CCCCCCCCCCCCCCCCOCC(CO)SC(=O)C |
| CAS | 112014150 |
| Splash | |
| Other Names |
2-Thioacetyl MAGE ; Ethanethioic acid, S-[(1R)-2-(hexadecyloxy)-1-(hydroxymethyl)ethyl] ester |