sialic acid

Ligand id: 4644

Name: sialic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 10
Topological polar surface area 184.62
Molecular weight 309.11
XLogP -4.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
Synonyms
aceneuramic acid | N-acetylneuraminic acid
Database Links
ChEBI CHEBI:26667
ChEMBL Ligand CHEMBL2105945
PubChem CID 14017587
RCSB PDB Ligand SI3
Search Google for chemical match using the InChIKey KBGAYAKRZNYFFG-BOHATCBPSA-N
Search Google for chemicals with the same backbone KBGAYAKRZNYFFG
Search UniChem for chemical match using the InChIKey KBGAYAKRZNYFFG-BOHATCBPSA-N
Search UniChem for chemicals with the same backbone KBGAYAKRZNYFFG
Wikipedia Sialic_acid
Comments
The structure shown above is representative of this class of compounds. For more details see the entry in ChEBI linked to above.