Dataset
![molecular Image]()
S-CARBOXYMETHYLCYSTEINE
Chemical Info
| InChI | InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) |
|---|---|
| SMILES | NC(CSCC(O)=O)C(O)=O |
| InChI Key | GBFLZEXEOZUWRN-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO4S |
| Exact Mass | 179.025 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101433_9EE2 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:31:14.956438 |
| MetadataModified | 2024-01-11T09:31:15.116678 |
| MetadataPublished | 2021-12-13 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1447969 | ChEMBL |
| DTXSID9022738 | EPA CompTox Dashboard |
| MCULE-1997609241 | Mcule |
| J1.028.091E | Nikkaji |
| 15794764 | PubChem |
| 4252LRM78Q | FDA SRS |
| HY-D0205 | MedChemExpress |
| 1987394 | eMolecules |
| HMDB0029415 | Human Metabolome Database |
| 15195145 | PubChem: Thomson Pharma |
| 1080 | PubChem |
| 638-23-3 | ACToR |
| 11139-64-3 | ACToR |
| 2387-59-9 | ACToR |
| PD056661 | ProbesDrugs |
| SCHEMBL69149 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |