| SpectraBase Spectrum ID |
JzmKy9bkhm4 |
| Name |
L-Glutathione, reduced |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
70-18-8 |
| ChEBI ID |
16856 |
| Comments |
100 mM Glutathione reduced - vendor: Fisher BioReagents BP25211; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10H17N3O6S |
| IUPAC Name |
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-mercapto-ethyl]carbamoyl]butanoic acid; 2-amino-4-[[[1-[(carboxymethylamino)-oxo-methyl]-2-mercapto-ethyl]amino]-oxo-methyl]butanoic acid; 2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid |
| InChI |
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 |
| InChIKey |
RWSXRVCMGQZWBV-WDSKDSINSA-N |
| KEGG Compound ID |
C00051 |
| KEGG Pathways |
PATH: map00251 Glutamate metabolism
PATH: map00272 Cysteine metabolism
PATH: map00480 Glutathione metabolism |
| PubChem Compound ID |
745 |
| SMILES |
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N |
| Source File Reference |
bmse000185 |
