| SpectraBase Spectrum ID |
KetjQbOMwH0 |
| Name |
DL-Homocysteine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
6681-97-6; 454-28-4; 454-29-5 |
| ChEBI ID |
17230 |
| Comments |
100 mM DL-HOMOCYSTEINE - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C4 H9 N O2 S |
| IUPAC Name |
2-amino-4-sulfanylbutanoic acid; 2-amino-4-mercapto-butyric acid; 2-amino-4-sulfanyl-butanoic acid; 2-amino-4-mercaptobutanoic acid |
| InChI |
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7) |
| InChIKey |
FFFHZYDWPBMWHY-UHFFFAOYSA-N |
| KEGG Compound ID |
C05330 |
| PubChem Compound ID |
778 |
| SMILES |
C(CS)C(C(=O)O)N |
| Source File Reference |
bmse000430 |
