Theanine; (S)-form
AlkaPlorer ID: AK315870
Synonym: L-form
IUPAC Name: 2-amino-5-(ethylamino)-5-oxopentanoic acid
Structure
SMILES: CCN=C(O)CCC(N)C(=O)O
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)
InChIKey: DATAGRPVKZEWHA-UHFFFAOYSA-N
Reference
PubChem CID: 25201101
CAS: 3081-61-6
LOTUS: LTS0058287
NPASS: NPC290606
COCONUT: CNP0109625.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Xerocomus | Boletaceae | Boletales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| Camellia oleifera | Camellia | Theaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Camellia sinensis | Camellia | Theaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Croton lechleri | Croton | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 174.2
TPSA？: 95.91
MolLogP？: 0.1549000000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 14.18 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.13 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 39.55 | % | 10.21203/rs.3.rs-23951/v1 |