| Identification | More | [Name]
(S)-3-(Allylsulphinyl)-L-alanine | [CAS]
556-27-4 | [Synonyms]
3-(2-PROPENYLSUFINYL)ALANINE
(+)-3-(2-PROPENYLSULFINYL) ALANINE
3-(2-PROPENYLSULFINYL)ALANINE
ALLIIN
L(+) ALLIIN
L(+/-) ALLIIN
(S)-3-(ALLYLSULFINYL)-L-ALANINE
(S)-S-ALLYL-L-CYSTEINE SULFOXIDE
(S)-3-(allylsulphinyl)-L-alanine
S-Allyl-L-cysteine Sulfoxide
ALLIIN(P)
ALLIIN hplc
(2R)-2-Amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
ALLIIN WITH HPLC
L-Alliin 556-27-4
3-(Allylsulfinyl)-L-alanine, (S)-
L-Alanine, 3-[(S)-2-propenylsulfinyl]- | [EINECS(EC#)]
209-118-9 | [Molecular Formula]
C6H11NO3S | [MDL Number]
MFCD01311056 | [Molecular Weight]
177.22 | [MOL File]
556-27-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
164-166° (effervescence) | [alpha ]
D20 +63.5° (c = 2) | [Boiling point ]
416.1±45.0 °C(Predicted) | [density ]
1.205 (estimate) | [refractive index ]
1.5500 (estimate) | [storage temp. ]
−20°C
| [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
solid | [pka]
1.88±0.10(Predicted) | [color ]
White to off-white | [Merck ]
13,259 | [InChI]
InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/s3 | [InChIKey]
XUHLIQGRKRUKPH-DYEAUMGKSA-N | [SMILES]
C(O)(=O)[C@H](C[S@](CC=C)=O)N |&1:3,5,r| | [LogP]
-0.478 (est) | [CAS DataBase Reference]
556-27-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [F ]
8-10 | [HS Code ]
29309090 |
| Hazard Information | Back Directory | [Uses]
antibacterial, antioxidant | [Definition]
ChEBI: An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group. | [target]
PPAR | TNF-α | IL Receptor | NF-kB | SOD | NADPH-oxidase | ROS |
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