N-acetyl-DL-cysteine (Q81976553)

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group of stereoisomers

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Language	Label	Description	Also known as
English	N-acetyl-DL-cysteine	group of stereoisomers

Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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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)

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InChIKey

PWKSKIMOESPYIA-UHFFFAOYSA-N

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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

2 references

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

matched by identifier from

InChIKey

InChIKey

PWKSKIMOESPYIA-UHFFFAOYSA-N

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

NMRShiftDB structure ID

10024965

1 reference

matched by identifier from

InChIKey

InChIKey

PWKSKIMOESPYIA-UHFFFAOYSA-N

DSSTox substance ID

DTXSID8048105

1 reference

matched by identifier from

InChIKey

InChIKey

PWKSKIMOESPYIA-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID6028076

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Human Metabolome Database ID

HMDB0255048

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PWKSKIMOESPYIA-UHFFFAOYSA-N

UNII

2SPH1IMO2V

1 reference

matched by identifier from

InChIKey

InChIKey

PWKSKIMOESPYIA-UHFFFAOYSA-N

Probes And Drugs ID

PD055517

0 references

 

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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