3-(2-Propen-1-ylsulfinyl)alanine

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

ID: Reference14090

Other Names: Alliin;
(R)C(S)S-Alliin;
AA-2739

Formula: C6H11NO3S

Class: Endogenous Metabolites

Spectral Data

3-(2-Propen-1-ylsulfinyl)alanine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 325
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2026 11:56:13 AM
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Identificators

InChI InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChI Key XUHLIQGRKRUKPH-UHFFFAOYSA-N
Canonical SMILES C=CCS(=O)CC(C(=O)O)N
CAS
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Other Names Alliin;
(R)C(S)S-Alliin;
AA-2739

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