L-Theanine

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Systematic / IUPAC Name: (2S)-2-Amino-5-(ethylamino)-5-oxopentanoic acid

ID: Reference13939

Other Names: AA-4427

Formula: C7H14N2O3

Class: Endogenous Metabolites

Spectral Data

L-Theanine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 608
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 6/8/2026 10:41:46 AM
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Identificators

InChI InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChI Key DATAGRPVKZEWHA-YFKPBYRVSA-N
Canonical SMILES CCNC(=O)CC[C@H](N)C(=O)O
CAS
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Other Names AA-4427

In Other Databases

HMDb HMDB0034365; HMDB0034365
ChemSpider 388498
Wikipedia Theanine
ChEMBL CHEMBL3039113
KEGG C01047
PubChem 25201220; 439378
DrugBank DB12444
ChEBI CHEBI:58128