L-aspartic acid   Click here for help

GtoPdb Ligand ID: 3309

Synonyms: L-Asp | L-aspartate
PDB Ligand
Comment: 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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
Canonical SMILES OC(=O)CC(C(=O)O)N
Isomeric SMILES OC(=O)C[C@@H](C(=O)O)N
InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
1. Conigrave AD, Quinn SJ, Brown EM. (2000)
L-amino acid sensing by the extracellular Ca2+-sensing receptor.
Proc Natl Acad Sci USA, 97 (9): 4814-9. [PMID:10781086]
2. Miyaji T, Omote H, Moriyama Y. (2011)
Functional characterization of vesicular excitatory amino acid transport by human sialin.
J Neurochem, 119 (1): 1-5. [PMID:21781115]
3. Wu JY, Matsuda T, Roberts E. (1973)
Purification and characterization of glutamate decarboxylase from mouse brain.
J Biol Chem, 248 (9): 3029-34. [PMID:4700449]