| SpectraBase Spectrum ID |
8rzVJ2SxDAu |
| Name |
L-Cystine |
| Acquisition Mode |
SIMULTANEOUSFILTERED |
| CAS Registry Number |
349-46-2 |
| ChEBI ID |
1628 |
| Comments |
100 mM L-Cystine - vendor: Sigma c8755; Solvent: D2O; Temperature=298 K, pH=10.5; 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 |
C6H12N2O4S2 |
| IUPAC Name |
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid |
| InChI |
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 |
| InChIKey |
LEVWYRKDKASIDU-IMJSIDKUSA-N |
| KEGG Compound ID |
C00491 |
| KEGG Pathways |
PATH: map00272 Cysteine metabolism |
| PubChem Compound ID |
67678 |
| SMILES |
C(C(C(=O)O)N)SSCC(C(=O)O)N |
| Source File Reference |
bmse000035 |
