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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1231391
CHEMBL1231391
Compound Name N-ACETYLMANNOSAMINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H15NO6

Additional synonyms for CHEMBL1231391 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-UOLFYFMNSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL1231391. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1231391

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

Compound Cross References

ChemSpider ChemSpider:OVRNDRQMDRJTHS-UOLFYFMNSA-N
Wikipedia N-Acetylmannosamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1231391



ChEBI 41112
eMolecules 30513231
IBM Patent System C3AA8AA73571E7DD53BDACA09D83DF4F
Nikkaji J1.882.928B
PDBe BM3
PubChem 644170
SureChEMBL SCHEMBL379737
ZINC ZINC04096030

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