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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13NO4S
Molecular Weight 207.247
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(2-HYDROXYETHYL)-L-CYSTEINE

SMILES

CC(=O)N[C@@H](CSCCO)C(O)=O

InChI

InChIKey=NAYOYSKSFGMFOB-LURJTMIESA-N
InChI=1S/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H13NO4S
Molecular Weight 207.247
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Simultaneous determination of six mercapturic acid metabolites of volatile organic compounds in human urine.
2009-06
Simultaneous determination of mercapturic acids derived from ethylene oxide (HEMA), propylene oxide (2-HPMA), acrolein (3-HPMA), acrylamide (AAMA) and N,N-dimethylformamide (AMCC) in human urine using liquid chromatography/tandem mass spectrometry.
2008-09
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
5125C7A0EK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(.BETA.-HYDROXYETHYL)MERCAPTURIC ACID
Preferred Name English
N-ACETYL-S-(2-HYDROXYETHYL)-L-CYSTEINE
Systematic Name English
ALANINE, N-ACETYL-3-((2-HYDROXYETHYL)THIO)-, L-
Systematic Name English
N-ACETYL-S-2-HYDROXYETHYL-L-CYSTEINE
Systematic Name English
S-(2-HYDROXYETHYL)-N-ACETYLCYSTEINE
Systematic Name English
N-ACETYL-S-(2-HYDROXYETHYL)CYSTEINE
Systematic Name English
L-CYSTEINE, N-ACETYL-S-(2-HYDROXYETHYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C73539
Created by admin on Mon Mar 31 18:51:44 GMT 2025 , Edited by admin on Mon Mar 31 18:51:44 GMT 2025
Code System Code Type Description
PUBCHEM
108009
Created by admin on Mon Mar 31 18:51:44 GMT 2025 , Edited by admin on Mon Mar 31 18:51:44 GMT 2025
PRIMARY
FDA UNII
5125C7A0EK
Created by admin on Mon Mar 31 18:51:44 GMT 2025 , Edited by admin on Mon Mar 31 18:51:44 GMT 2025
PRIMARY
CAS
15060-26-1
Created by admin on Mon Mar 31 18:51:44 GMT 2025 , Edited by admin on Mon Mar 31 18:51:44 GMT 2025
PRIMARY
NCI_THESAURUS
C107146
Created by admin on Mon Mar 31 18:51:44 GMT 2025 , Edited by admin on Mon Mar 31 18:51:44 GMT 2025
PRIMARY NCIT
EPA CompTox
DTXSID00914077
Created by admin on Mon Mar 31 18:51:44 GMT 2025 , Edited by admin on Mon Mar 31 18:51:44 GMT 2025
PRIMARY