| SpectraBase Spectrum ID |
AK7X3jk4vKs |
| Name |
L(-)-Glutathione, oxidized |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
10421-65-5
121-24-4
27025-41-8 |
| ChEBI ID |
17858 |
| Comments |
100 mM L(-)-Glutathione, oxidized - vendor: Acros 320225000; 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 |
C20H32N6O12S2 |
| IUPAC Name |
(2S)-2-amino-4-[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]disulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid; (2S)-2-amino-4-[[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-1-oxo-butyl]amino]-2-[(carboxymethylamino)-oxo-methyl]ethyl]disulfanyl-1-[(carboxymethylamino)-oxo-methyl]ethyl]amino]-oxo-methyl]butanoic acid |
| InChI |
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1 |
| InChIKey |
YPZRWBKMTBYPTK-BJDJZHNGSA-N |
| KEGG Compound ID |
C00127 |
| KEGG Pathways |
PATH: map00251 Glutamate metabolism
PATH: map00480 Glutathione metabolism |
| PubChem Compound ID |
65359 |
| SMILES |
C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N |
| Source File Reference |
bmse000170 |
