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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 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 Sep
Simultaneous determination of six mercapturic acid metabolites of volatile organic compounds in human urine.
2009 Jun
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:53:41 GMT 2023
Edited
by admin
on Fri Dec 15 17:53:41 GMT 2023
Record UNII
BFU3149V95
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-S-(3-HYDROXYPROPYL)CYSTEINE
Systematic 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
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 Fri Dec 15 17:53:41 GMT 2023 , Edited by admin on Fri Dec 15 17:53:41 GMT 2023
PRIMARY
PUBCHEM
119083
Created by admin on Fri Dec 15 17:53:41 GMT 2023 , Edited by admin on Fri Dec 15 17:53:41 GMT 2023
PRIMARY
FDA UNII
BFU3149V95
Created by admin on Fri Dec 15 17:53:41 GMT 2023 , Edited by admin on Fri Dec 15 17:53:41 GMT 2023
PRIMARY
CAS
23127-40-4
Created by admin on Fri Dec 15 17:53:41 GMT 2023 , Edited by admin on Fri Dec 15 17:53:41 GMT 2023
PRIMARY
MESH
C001423
Created by admin on Fri Dec 15 17:53:41 GMT 2023 , Edited by admin on Fri Dec 15 17:53:41 GMT 2023
PRIMARY