Phyto4Health

D-Alanine

Representations & DB's id

ChEBI: CHEBI:15570
ChEMBL: CHEMBL66693
PubChem: 71080
IUPAC: (2R)-2-azaniumylpropanoate
Standard InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
Standard InChI Key: QNAYBMKLOCPYGJ-UWTATZPHSA-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.
Ki19000000 nMProton-coupled amino acid transporter 1Q7Z2H8