2-Thio-acetyl MAGE

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.

View Mass Spectra

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
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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
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Other Names 2-Thioacetyl MAGE ;
Ethanethioic acid, S-[(1R)-2-(hexadecyloxy)-1-(hydroxymethyl)ethyl] ester

In Other Databases

PubChem 91885987
ChemSpider 29342258