D-aspartic acid   

GtoPdb Ligand ID: 6511

Synonyms: D-aspartate
Compound class: Synthetic organic
Comment: This ligand entry also represents D-aspartate (CHEBI:29994), the carboxylate anion and salt form of the acid. It is in the aspartate form that the ligand is transported across cell membranes.
2D Structure
Click here for structure editor
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
SMILES / InChI / InChIKey
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-/m1/s1
InChI Key CKLJMWTZIZZHCS-UWTATZPHSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-aminobutanedioic acid
Synonyms
D-aspartate
Database Links
CAS Registry No. 1783-96-6 (source: Scifinder)
ChEBI CHEBI:17364
ChEMBL Ligand CHEMBL29757
GtoPdb PubChem SID 178103125
PubChem CID 83887
RCSB PDB Ligand DAS
Search Google for chemical match using the InChIKey CKLJMWTZIZZHCS-UWTATZPHSA-N
Search Google for chemicals with the same backbone CKLJMWTZIZZHCS
Search UniChem for chemical match using the InChIKey CKLJMWTZIZZHCS-UWTATZPHSA-N
Search UniChem for chemicals with the same backbone CKLJMWTZIZZHCS

Product suppliers

View disclaimer

Tocris
D-Aspartic acid
Cat. No. 0213