S-Allylcysteine

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Systematic / IUPAC Name: 2-Amino-3-prop-2-enylsulfanylpropanoic acid

ID: Reference14007

Other Names: AA-2759

Formula: C6H11NO2S

Class: Endogenous Metabolites

Spectral Data

S-Allylcysteine 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 150
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/22/2026 11:46:38 AM
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Identificators

InChI InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChI Key ZFAHNWWNDFHPOH-UHFFFAOYSA-N
Canonical SMILES C=CCSCC(N)C(=O)O
CAS
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Other Names AA-2759

In Other Databases

ChemSpider UCL-ABT-JRS-151; 88744
ChEMBL CHEMBL1592541
HMDb HMDB0034323
KEGG C16759
PubChem 25202793