L-alanine   Click here for help

GtoPdb Ligand ID: 720

Abbreviated name: L-Ala
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 1
Topological polar surface area 63.32
Molecular weight 89.05
XLogP -2.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C(=O)O)N
Isomeric SMILES C[C@@H](C(=O)O)N
InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChI Key QNAYBMKLOCPYGJ-REOHCLBHSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-aminopropanoic acid
International Nonproprietary Names Click here for help
INN number INN
6161 alanine
Database Links Click here for help
BindingDB Ligand 50000099
CAS Registry No. 56-41-7 (source: PubChem)
ChEBI CHEBI:16977
ChEMBL Ligand CHEMBL279597
DrugBank Ligand DB00160
DrugCentral Ligand 4255
GtoPdb PubChem SID 135651498
Immunopaedia Search alanine
PubChem CID 5950
RCSB PDB Ligand ALA
Search Google for chemical match using the InChIKey QNAYBMKLOCPYGJ-REOHCLBHSA-N
Search Google for chemicals with the same backbone QNAYBMKLOCPYGJ
Search PubMed clinical trials alanine
Search PubMed titles alanine
Search PubMed titles/abstracts alanine
Search UniChem for chemical match using the InChIKey QNAYBMKLOCPYGJ-REOHCLBHSA-N
Search UniChem for chemicals with the same backbone QNAYBMKLOCPYGJ
Wikipedia alanine

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Tocris
L-Alanine
Cat. No. 0205