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
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
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
Title | Date | PubMed |
---|---|---|
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
Edited
Fri Dec 15 17:45:47 GMT 2023
by
admin
on
Fri Dec 15 17:45:47 GMT 2023
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Record UNII |
5125C7A0EK
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C73539
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admin on Fri Dec 15 17:45:47 GMT 2023 , Edited by admin on Fri Dec 15 17:45:47 GMT 2023
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108009
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5125C7A0EK
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15060-26-1
Created by
admin on Fri Dec 15 17:45:47 GMT 2023 , Edited by admin on Fri Dec 15 17:45:47 GMT 2023
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C107146
Created by
admin on Fri Dec 15 17:45:47 GMT 2023 , Edited by admin on Fri Dec 15 17:45:47 GMT 2023
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PRIMARY | NCIT | ||
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DTXSID00914077
Created by
admin on Fri Dec 15 17:45:47 GMT 2023 , Edited by admin on Fri Dec 15 17:45:47 GMT 2023
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PRIMARY |