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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL447878
CHEMBL447878
Compound Name N-ACETYLGLUCOSAMINE
ChEMBL Synonyms N-Acetyl Glucosamine | N-Acetylglucosamine
Max Phase 0
Trade Names
Molecular Formula C8H15NO6

Additional synonyms for CHEMBL447878 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4- ...
Download InChI
Standard InChI Key OVRNDRQMDRJTHS-FMDGEEDCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL447878

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
221.2 221.0899 -2.78 2 119.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.04 - -2.31 -2.31 0 15 0.34

Structural Alerts

There are 1 structural alerts for CHEMBL447878. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OVRNDRQMDRJTHS-FMDGEEDCSA-N
Wikipedia N-Acetylglucosamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL447878



ACToR 134-61-2
Brenda 67193 124708 1507 211749 108031 39369 23245 160963 203758 21317 10471 52462
ChEBI 28009
DrugCentral 4615
eMolecules 884266
FDA SRS 8P59336F68
Human Metabolome Database HMDB0000803
IBM Patent System 7B3BC7FE3B4DE5D0554D658725908642
KEGG Ligand C03878
Metabolights MTBLC28009
Nikkaji J419.924C
PDBe NAG
PubChem 24139
PubChem: Thomson Pharma 14797954 15121434
SureChEMBL SCHEMBL19345
ZINC ZINC000003983907

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OVRNDRQMDRJTHS-FMDGEEDCSA-N spacer
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