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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H15NO4S
Molecular Weight 221.274
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(3-HYDROXYPROPYL)CYSTEINE

SMILES

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

InChI

InChIKey=FMWPQZPFBAHHMB-ZETCQYMHSA-N
InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h7,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H15NO4S
Molecular Weight 221.274
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 18:56:25 GMT 2025
Edited
by admin
on Mon Mar 31 18:56:25 GMT 2025
Record UNII
BFU3149V95
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-S-(3-HYDROXYPROPYL)CYSTEINE
Systematic Name English
3-(HYDROXYPROPYL)MERCAPTURIC ACID
Preferred Name English
3-(N-ACETYL-L-CYSTEIN-S-YL)PROPAN-1-OL
Systematic Name English
L-CYSTEINE, N-ACETYL-S-(3-HYDROXYPROPYL)-
Systematic Name English
N-ACETYL-S-(3-HYDROXYPROPYL)-L-CYSTEINE
Systematic Name English
S-(3-HYDROXYPROPYL)MERCAPTURIC ACID
Common Name English
ALANINE, N-ACETYL-3-((3-HYDROXYPROPYL)THIO)-, L-
Systematic Name English
S-(3-HYDROXYPROPYL)CYSTEINE N-ACETATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30904325
Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025
PRIMARY
PUBCHEM
119083
Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025
PRIMARY
FDA UNII
BFU3149V95
Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025
PRIMARY
CAS
23127-40-4
Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025
PRIMARY
MESH
C001423
Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025
PRIMARY