Systematic / IUPAC Name: 4-Oxobutanoic acid
ID: Reference1396
Other Names:
3-Formylpropanoic acid;
β-Formylpropionic acid;
3-Formylpropionic acid;
Υ-Oxybutyric acid;
Butryaldehydic acid
; more
Formula: C4H6O3
Class: Endogenous Metabolites
Succinic semialdehyde mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 95 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 12/3/2014 2:59:40 PM |
InChI | InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7) |
InChI Key | UIUJIQZEACWQSV-UHFFFAOYSA-N |
Canonical SMILES | C(CC(=O)O)C=O |
CAS | 692295 |
Splash | |
Other Names |
3-Formylpropanoic acid; β-Formylpropionic acid; 3-Formylpropionic acid; Υ-Oxybutyric acid; Butryaldehydic acid; 4-Oxobutyric acid; Butanoic acid, 4-oxo- |
KEGG | C00232; C02127 |
PubChem | 1112 |
HMDb | HMDB01259 |
ChemIDPlus | 000692295 |
ChemSpider | 1080 |
Wikipedia | Succinic semialdehyde |
ChEBI | CHEBI:16265 |