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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL97893
CHEMBL97893
Compound Name FOSFRUCTOSE
ChEMBL Synonyms Fosfructose
Max Phase 0
Trade Names
Molecular Formula C6H14O12P2

Additional synonyms for CHEMBL97893 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O
Standard InChI InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-1 ...
Download InChI
Standard InChI Key RNBGYGVWRKECFJ-ARQDHWQXSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL97893

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
340.1 339.996 -2.99 6 203.44 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 7 1 12 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 - -6.25 -12.32 0 20 0.24

Structural Alerts

There are 6 structural alerts for CHEMBL97893. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RNBGYGVWRKECFJ-ARQDHWQXSA-N
PubChem SID: 29218079

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL97893



ACToR 125740-83-2 34693-15-7
Brenda 217960 51113 1755 295 166168 93035 93408 93410 1895 93409 106 10623 6523 583 93407
ChEBI 28013
DrugBank DB04551
EPA CompTox Dashboard DTXSID0048347
IBM Patent System 1CCAA60C80AF3D8171E698703EEA1D83
KEGG Ligand C05378
Metabolights MTBLC28013
Nikkaji J322.162H
PDBe FBP
PubChem 10267
PubChem: Thomson Pharma 14924820 15446643
SureChEMBL SCHEMBL168244
ZINC ZINC000004096694

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