L-aspartic acid

Ligand id: 3309

Name: L-aspartic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 100.62
Molecular weight 133.04
XLogP -3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-aminobutanedioic acid
International Nonproprietary Names
INN number INN
1570 aspartic acid
Synonyms
L-Asp
L-aspartate
Database Links
CAS Registry No. 56-84-8 (source: Scifinder)
ChEBI CHEBI:17053
ChEMBL Ligand CHEMBL274323
DrugBank Ligand DB00128
Human Metabolome Database HMDB00191
PubChem CID 5960
RCSB PDB Ligand ASP, IAS
Search Google for chemical match using the InChIKey CKLJMWTZIZZHCS-REOHCLBHSA-N
Search Google for chemicals with the same backbone CKLJMWTZIZZHCS
Search PubMed clinical trials aspartic acid
Search PubMed titles aspartic acid
Search PubMed titles/abstracts aspartic acid
Wikipedia L-Aspartic_Acid
Comments
This ligand entry also represents L-aspartate (CHEBI:29993), the carboxylate anion and salt form of the acid. It is in the aspartate form that the ligand is transported across cell membranes.