For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(3,4-dihydroxyphenyl)-L-alanine
SpectraBase Compound ID CRkqSkmihh8
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
Mol Weight 197.19 g/mol
Molecular Formula C9H11NO4
Exact Mass 197.068808 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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