D-aspartic acid   Click here for help

GtoPdb Ligand ID: 6511

Synonyms: D-aspartate
PDB Ligand
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.
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2D Structure
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Physico-chemical Properties
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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
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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 Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2-aminobutanedioic acid
Synonyms Click here for help
D-aspartate
Database Links Click here for help
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
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Tocris
D-Aspartic acid
Cat. No. 0213