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English
N-acetyl-DL-cysteine
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
163.030314148
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅H₉NO₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)NC(CS)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)
0 references
InChIKey
PWKSKIMOESPYIA-UHFFFAOYSA-N
0 references
CAS Registry Number
7218-04-4
1 reference
InChIKey
PWKSKIMOESPYIA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=7218-04-4
PubChem CID
581
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
1070618
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS030401
1 reference
InChIKey
PWKSKIMOESPYIA-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID8048105
0 references
DSSTOX compound identifier
DTXCID6028076
0 references
Human Metabolome Database ID
HMDB0255048
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD055517
0 references
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