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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL469449
CHEMBL469449
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12O5

Additional synonyms for CHEMBL469449 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3 ...
Download InChI
Standard InChI Key SHZGCJCMOBCMKK-DHVFOXMCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL469449

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
164.2 164.0685 -1.63 0 90.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.28 - -1.58 -1.58 0 11 0.35

Structural Alerts

There are 1 structural alerts for CHEMBL469449. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SHZGCJCMOBCMKK-DHVFOXMCSA-N
Wikipedia Fucose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL469449



BindingDB 50242419
Brenda 717 105335 101744 5119
ChEBI 2181
eMolecules 513528
Human Metabolome Database HMDB0000174
IBM Patent System CF3D20E1E28AFEAB46C066CB2E272364
KEGG Ligand C01019
Metabolights MTBLC2181
Nikkaji J192.648I
PubChem 17106
PubChem: Thomson Pharma 15066556
Recon fuc_L
Rhea 2181
SureChEMBL SCHEMBL63943

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