L-phenylalanine   Click here for help

GtoPdb Ligand ID: 3313

Abbreviated name: L-Phe
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 165.08
XLogP -1.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(C(=O)O)Cc1ccccc1
Isomeric SMILES N[C@H](C(=O)O)Cc1ccccc1
InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChI Key COLNVLDHVKWLRT-QMMMGPOBSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-amino-3-phenylpropanoic acid
International Nonproprietary Names Click here for help
INN number INN
6168 phenylalanine
Database Links Click here for help
BitterDB Ligand 752
CAS Registry No. 63-91-2 (source: Scifinder)
ChEBI CHEBI:17295
ChEMBL Ligand CHEMBL301523
DrugBank Ligand DB00120
DrugCentral Ligand 2144
GtoPdb PubChem SID 178100347
PubChem CID 6140
RCSB PDB Ligand PHE
Search Google for chemical match using the InChIKey COLNVLDHVKWLRT-QMMMGPOBSA-N
Search Google for chemicals with the same backbone COLNVLDHVKWLRT
Search PubMed clinical trials phenylalanine
Search PubMed titles phenylalanine
Search PubMed titles/abstracts phenylalanine
Search UniChem for chemical match using the InChIKey COLNVLDHVKWLRT-QMMMGPOBSA-N
Search UniChem for chemicals with the same backbone COLNVLDHVKWLRT
Wikipedia Phenylalanine