| SpectraBase Spectrum ID |
8bIHjoze0MX |
| Name |
3,4-Dihydroxy-L-phenylalanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
59-92-7 |
| ChEBI ID |
15765 |
| Comments |
Saturated 3,4-Dihydroxy-L-phenylalanine - Sigma-Aldrich D9628
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 H11 N O4 |
| IUPAC Name |
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid |
| InChI |
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 |
| InChIKey |
WTDRDQBEARUVNC-LURJTMIESA-N |
| KEGG Compound ID |
C00355 |
| PubChem Compound ID |
6047 |
| SMILES |
C1=CC(=C(C=C1CC(C(=O)O)N)O)O; C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O |
| Source File Reference |
bmse000322 |
