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.
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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-/m0/s1
InChI Key CKLJMWTZIZZHCS-REOHCLBHSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-aminobutanedioic acid
International Nonproprietary Names Click here for help
INN number INN
1570 aspartic acid
Synonyms Click here for help
L-Asp | L-aspartate
Database Links Click here for help
CAS Registry No. 56-84-8 (source: Scifinder)
ChEBI CHEBI:17053
ChEMBL Ligand CHEMBL274323
DrugBank Ligand DB00128
DrugCentral Ligand 1550
GtoPdb PubChem SID 135651597
Immunopaedia Search aspartate
PubChem CID 5960
RCSB PDB Ligand ASP, IAS
Search Google for chemical match using the InChIKey CKLJMWTZIZZHCS-REOHCLBHSA-N
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Search PubMed clinical trials aspartic acid
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Search UniChem for chemical match using the InChIKey CKLJMWTZIZZHCS-REOHCLBHSA-N
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Wikipedia L-Aspartic_Acid

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Tocris
L-Aspartic acid
Cat. No. 0214