L-asparagine   Click here for help

GtoPdb Ligand ID: 4533

Abbreviated name: L-Asn
PDB Ligand
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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 106.41
Molecular weight 132.05
XLogP -4.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)CC(C(=O)O)N
Isomeric SMILES NC(=O)C[C@@H](C(=O)O)N
InChI InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChI Key DCXYFEDJOCDNAF-REOHCLBHSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-amino-3-carbamoylpropanoic acid
Database Links Click here for help
CAS Registry No. 70-47-3 (source: Scifinder)
ChEBI CHEBI:17196
ChEMBL Ligand CHEMBL58832
DrugBank Ligand DB00174
DrugCentral Ligand 4126
GtoPdb PubChem SID 178101254
Immunopaedia Search asparagine
PubChem CID 6267
RCSB PDB Ligand ASN, 41Q
Search Google for chemical match using the InChIKey DCXYFEDJOCDNAF-REOHCLBHSA-N
Search Google for chemicals with the same backbone DCXYFEDJOCDNAF
Search UniChem for chemical match using the InChIKey DCXYFEDJOCDNAF-REOHCLBHSA-N
Search UniChem for chemicals with the same backbone DCXYFEDJOCDNAF
Wikipedia Asparagine