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L-Phenylalanine
SpectraBase Compound ID 7vfeEJciNFQ
InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey COLNVLDHVKWLRT-QMMMGPOBSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GTNgJoooAJr
Name L-Phenylalanine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 10549-09-4 3617-44-5 5297-02-9 63-91-2 673-06-3 67675-33-6
ChEBI ID 17299
Comments 100 mM L-phenyalanine - vendor: Sigma p2126; 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 C9H11NO2
IUPAC Name (2S)-2-amino-3-phenyl-propanoic acid
InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey COLNVLDHVKWLRT-QMMMGPOBSA-N
KEGG Compound ID C00079
KEGG Pathways PATH: map00360 Phenylalanine metabolism PATH: map00400 Phenylalanine, tyrosine and tryptophan biosynthesis PATH: map00960 Alkaloid biosynthesis II PATH: map00970 Aminoacyl-tRNA biosynthesis
PubChem Compound ID 6140
SMILES C1=CC=C(C=C1)CC(C(=O)O)N
Source File Reference bmse000045