METHYL ALLIIN

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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

Structure Search

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

Molecular Formula	C4H9NO3S
Molecular Weight	151.184
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:15:11 GMT 2025` Edited by `admin` on `Wed Apr 02 12:15:11 GMT 2025`
Record UNII	D8W7K73RV4
Record Status	`Validated (UNII)`
Record Version

Download

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

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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

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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

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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

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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

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