U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C4H9NO3S
Molecular Weight 151.184
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL ALLIIN

SMILES

C[S+]([O-])C[C@H](N)C(O)=O

InChI

InChIKey=ZZLHPCSGGOGHFW-BUKSALPDSA-N
InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL ALLIIN
Common Name English
NSC-226572
Preferred Name English
S-Methylcysteine S-oxide
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501306969
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY
CAS
6853-87-8
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY
FDA UNII
D8W7K73RV4
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY
PUBCHEM
182092
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY
NSC
226572
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY