N-ACETYL-S-(2-CYANOETHYL)-L-CYSTEINE

CC(=O)N[C@@H](CSCCC#N)C(O)=O

InChIKey=VDKVYEUEJCNDHM-ZETCQYMHSA-N

InChI=1S/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

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

PubMed

Title	Date	PubMed
A method for the quantification of biomarkers of exposure to acrylonitrile and 1,3-butadiene in human urine by column-switching liquid chromatography-tandem mass spectrometry.	2009-02	19018522
Acrylonitrile is a multisite carcinogen in male and female B6C3F1 mice.	2002-07	12075111
Toxicology and carcinogenesis studies of acrylonitrile (CAS No. 107-13-1) in B6C3F1 mice (gavage studies).	2001-10	11803701

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:51:44 GMT 2025` Edited by `admin` on `Mon Mar 31 18:51:44 GMT 2025`
Record UNII	Q710T40465
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

N-ACETYL-S-(2-CYANOETHYL)-L-CYSTEINE

Systematic Name

English

S-(2-CYANOETHYL)MERCAPTURIC ACID

Preferred Name

English

N-ACETYL-S-(2-CYANOETHYL)CYSTEINE

Systematic Name

English

L-CYSTEINE, N-ACETYL-S-(2-CYANOETHYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70996027