| SpectraBase Spectrum ID |
54d0Gi2kKGG |
| Name |
3-Iodo-L-tyrosine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
70-78-0 |
| ChEBI ID |
27847 |
| Comments |
100 mM 3-Iodo-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 H10 I N O3 |
| IUPAC Name |
(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid; (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid |
| InChI |
InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 |
| InChIKey |
UQTZMGFTRHFAAM-ZETCQYMHSA-N |
| KEGG Compound ID |
C02515 |
| KEGG Pathways |
PATH: ko00350 Tyrosine metabolism |
| PubChem Compound ID |
439744 |
| SMILES |
C1=CC(=C(C=C1CC(C(=O)O)N)I)O; C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O |
| Source File Reference |
bmse000337 |
