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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

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

Structural Alerts

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

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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