Imidazolelactic acid

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Systematic / IUPAC Name: 2-Hydroxy-3-imidazol-1-ylpropanoic acid

ID: Reference443

Other Names: 1-Imidazolelactic acid;
2-Hydroxy-3-(1H-imidazol-1-yl)propanoic acid;
1-Imidazolelactate;
1H-Imidazole-1-propanoic acid, α-hydroxy-, (S)-

Formula: C6H8N2O3

Class: Endogenous Metabolites

Spectral Data

Imidazolelactic 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 308
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 11:58:14 AM
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Identificators

InChI InChI=1S/C6H8N2O3/c9-5(6(10)11)3-8-2-1-7-4-8/h1-2,4-5,9H,3H2,(H,10,11)
InChI Key JTYMXXCJQKGGFG-UHFFFAOYSA-N
Canonical SMILES C1=CN(C=N1)CC(C(=O)O)O
CAS 876197
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Other Names 1-Imidazolelactic acid;
2-Hydroxy-3-(1H-imidazol-1-yl)propanoic acid;
1-Imidazolelactate;
1H-Imidazole-1-propanoic acid, α-hydroxy-, (S)-

In Other Databases

PubChem 459122
ChemSpider 404046
HMDb HMDB02320
ChEBI CHEBI:70808