Phyto4Health

Valine

Representations & DB's id

ChEBI: CHEBI:16414
ChEMBL: CHEMBL43068
PubChem: 6287
IUPAC: (2S)-2-azaniumyl-3-methylbutanoate
Standard InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
Standard InChI Key: KZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES: N[C@H](C(=O)O)C(C)C

Molecular propeties

AlogP: 0.05
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 2
Number of rings: 0
Molecular Weight: 117.08
Topological polar surface area: 63.3
Number of aromatic rings: 0
Fsp3: 0.8
Number of carbons: 5

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.