Phyto4Health

L-Alanine

Representations & DB's id

ChEBI: CHEBI:16977
ChEMBL: CHEMBL279597
PubChem: 5950
IUPAC: (2S)-2-aminopropanoic acid
Standard InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Standard InChI Key: QNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES: C[C@@H](C(=O)O)N

Molecular propeties

AlogP: -0.58
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 1
Number of rings: 0
Molecular Weight: 89.05
Topological polar surface area: 63.3
Number of aromatic rings: 0
Fsp3: 0.667
Number of carbons: 3

Plant sources

Part of plant Plant name Ref.
PlantBrassica juncea
PlantTussilago farfara
PlantTaraxacum officinale

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency2511.9 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Ki2800000 nMProton-coupled amino acid transporter 1Q7Z2H8