Imidazolepropionic acid
13556
Reference
Imidazolepropionic acid Structure
Systematic / IUPAC Name: 3-(1H-Imidazol-5-yl)propanoic acid
ID: Reference13556
Other Names: 1H-Imidazole-5-propanoic acid
Formula: C6H8N2O2
Class: Endogenous Metabolites
Spectral Data
Imidazolepropionic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 2 |
| No. of Spectra | 884 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/27/2026 12:03:37 PM |
Identificators
| InChI | InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10) |
| InChI Key | ZCKYOWGFRHAZIQ-UHFFFAOYSA-N |
| Canonical SMILES | O=C(O)CCc1c[nH]cn1 |
| CAS | |
| Splash | |
| Other Names | 1H-Imidazole-5-propanoic acid |
In Other Databases
| PubChem | 70630; 70630 |
| ChemSpider | 63798 |
| ChEMBL | CHEMBL84253 |
| ChEBI | CHEBI:73087 |
| HMDb | HMDB0002271; HMDB0002271; HMDB02271 |
| KEGG | C20522 |