Imidazoleacetic acid

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Systematic / IUPAC Name: 1H-Imidazol-4-ylacetic acid

ID: Reference442

Other Names: Imidazole-4-acetic acid;
Imidazoleacetic acid;
4-Imidazoleacetate;
1H-Imidazole-4-acetic acid;
4-Imidazoleacetic acid ; more

Formula: C5H6N2O2

Class: Endogenous Metabolites

Spectral Data

Imidazoleacetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 250
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/20/2015 1:02:08 PM
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Identificators

InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChI Key PRJKNHOMHKJCEJ-UHFFFAOYSA-N
Canonical SMILES C1=C(N=CN1)CC(=O)O
CAS 645658
Splash
Other Names Imidazole-4-acetic acid;
Imidazoleacetic acid;
4-Imidazoleacetate;
1H-Imidazole-4-acetic acid;
4-Imidazoleacetic acid;
Imidazole-4-acetate;
2-Imidazol-4-ylacetic acid;
Imidazole acetate;
2-(1H-Imidazole-5-yl)acetic acid

In Other Databases

ChemIDPlus 000645658
KEGG C02835
PubChem 96215
ChemSpider 86856
ChEBI CHEBI:16974; CHEBI:70804
ChEMBL CHEMBL784
HMDb HMDB02024; HMDB06032; HMDB60261