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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL469448
CHEMBL469448
Compound Name D-MANNOSE
ChEMBL Synonyms D-Mannose
Max Phase 0
Trade Names
Molecular Formula C6H12O6

Additional synonyms for CHEMBL469448 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2 ...
Download InChI
Standard InChI Key WQZGKKKJIJFFOK-QTVWNMPRSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL469448. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL469448

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
180.2 180.0634 -2.51 1 110.38 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.12 - -2.49 -2.49 0 12 0.31

Compound Cross References

ChemSpider ChemSpider:WQZGKKKJIJFFOK-QTVWNMPRSA-N
PubChem SID: 29217866 SID: 56323500
Wikipedia Mannose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL469448



ACToR 31103-86-3 147-74-0 50986-23-7
Atlas mannose
BindingDB 50448403
ChEBI 4208
eMolecules 525589
EPA CompTox Dashboard DTXSID5040463
Guide to Pharmacology 4650
Human Metabolome Database HMDB00169
IBM Patent System 60555DD45C8A4405A6BFD73A3BEA6BB1
KEGG Ligand C00159
MolPort MolPort-003-937-982
Nikkaji J182.296I
PubChem 18950
PubChem: Thomson Pharma 15322061 15066909
Recon man
SureChEMBL SCHEMBL38300

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