| SpectraBase Spectrum ID |
odokz671Le |
| Name |
3,5-Diiodo-L-tyrosine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
66-02-4; 300-39-0 |
| ChEBI ID |
15768 |
| Comments |
Saturated 3,5-Diiodo-L-tyrosine - 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 |
C9 H9 I2 N O3 |
| IUPAC Name |
(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid; (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid; (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid |
| InChI |
InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 |
| InChIKey |
NYPYHUZRZVSYKL-ZETCQYMHSA-N |
| KEGG Compound ID |
C01060 |
| KEGG Pathways |
PATH: ko00350 Tyrosine metabolism |
| PubChem Compound ID |
9305 |
| SMILES |
C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N; C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N |
| Source File Reference |
bmse000327 |
