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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL173813
CHEMBL173813
Compound Name
ChEMBL Synonyms 2,3-Dihydroxy-Propionaldehyde | 2,3-Dihydroxypropanal
Max Phase 0
Trade Names
Molecular Formula C3H6O3

Additional synonyms for CHEMBL173813 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCC(O)C=O
Standard InChI InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
Standard InChI Key MNQZXJOMYWMBOU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL173813

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
90.1 90.0317 -1.26 2 57.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.6 - -2.2 -2.2 0 6 0.42

Structural Alerts

There are 6 structural alerts for CHEMBL173813. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MNQZXJOMYWMBOU-UHFFFAOYSA-N
Wikipedia Glyceraldehyde

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL173813



ACToR 56-82-6
BindingDB 16241
Brenda 157927 152161 3454 487 134224 40689 1125
ChEBI 5445
eMolecules 515280
Human Metabolome Database HMDB01051
IBM Patent System F36BF84B12362B82509675782DDAFF94
KEGG Ligand C02154
Metabolights MTBLC5445
MolPort MolPort-001-779-924
Nikkaji J5.790H
PubChem 751
PubChem: Thomson Pharma 15437065
SureChEMBL SCHEMBL19505

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