4-oxobutanoate   

GtoPdb Ligand ID: 6608

Synonyms: succinate semialdehyde
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 57.2
Molecular weight 101.02
XLogP -0.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=CCCC(=O)[O-]
Isomeric SMILES O=CCCC(=O)[O-]
InChI InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1
InChI Key UIUJIQZEACWQSV-UHFFFAOYSA-M
Classification
Compound class Metabolite or derivative
IUPAC Name
4-oxobutanoate
Synonyms
succinate semialdehyde
Database Links
ChEBI CHEBI:57706
GtoPdb PubChem SID 178103221
PubChem CID 9543238
Search Google for chemical match using the InChIKey UIUJIQZEACWQSV-UHFFFAOYSA-M
Search Google for chemicals with the same backbone UIUJIQZEACWQSV
Search UniChem for chemical match using the InChIKey UIUJIQZEACWQSV-UHFFFAOYSA-M
Search UniChem for chemicals with the same backbone UIUJIQZEACWQSV