| SpectraBase Spectrum ID |
10k9eSjjzPd |
| Name |
L-Cystathionine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
56-88-2 |
| ChEBI ID |
17482 |
| Comments |
saturated N/A l-cystathionine - vendor: Sigma c7505; 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 |
C7 H14 N2 O4 S |
| IUPAC Name |
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]thio-butanoic acid; (2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid |
| InChI |
InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 |
| InChIKey |
ILRYLPWNYFXEMH-WHFBIAKZSA-N |
| KEGG Compound ID |
C02291 |
| KEGG Pathways |
PATH: map00260 Glycine, serine and threonine metabolism
PATH: map00271 Methionine metabolism |
| PubChem Compound ID |
439698 |
| SMILES |
C(CSCC(C(=O)O)N)C(C(=O)O)N |
| Source File Reference |
bmse000033 |
