N-Acetyl-S-allyl-L-cysteine
5886
Reference
N-Acetyl-S-allyl-L-cysteine Structure
Systematic / IUPAC Name: N-Acetyl-S-allyl-L-cysteine
ID: Reference5886
Other Names:
(2R)-2-Acetamido-3-(prop-2-en-1-ylsulfanyl)propanoic acid ;
(2R)-2-Acetamido-3-prop-2-enylsulfanylpropanoic acid
Formula: C8H13NO3S
Class: Endogenous Metabolites
Spectral Data
N-Acetyl-S-allyl-L-cysteine 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/2/2016 2:48:27 PM |
Identificators
| InChI | InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1 |
| InChI Key | LKRAEHUDIUJBSF-ZETCQYMHSA-N |
| Canonical SMILES | CC(=O)NC(CSCC=C)C(=O)O |
| CAS | 23127415 |
| Splash | |
| Other Names |
(2R)-2-Acetamido-3-(prop-2-en-1-ylsulfanyl)propanoic acid ; (2R)-2-Acetamido-3-prop-2-enylsulfanylpropanoic acid |