3-Methylhistidine

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Systematic / IUPAC Name: 2-Amino-3-(3-methylimidazol-4-yl)propanoic acid

ID: Reference213

Other Names: 2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid;
2-Amino-3-(3-methyl-4-imidazolyl)propanoic acid;
2-Azanyl-3-(3-methylimidazol-4-yl)propanoic acid

Formula: C7H11N3O2

Class: Endogenous Metabolites

Spectral Data

3-Methylhistidine 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 272
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2014 11:37:52 AM
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Identificators

InChI InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChI Key JDHILDINMRGULE-UHFFFAOYSA-N
Canonical SMILES CN1C=NC=C1CC(C(=O)O)N
CAS 368161
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Other Names 2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid;
2-Amino-3-(3-methyl-4-imidazolyl)propanoic acid;
2-Azanyl-3-(3-methylimidazol-4-yl)propanoic acid

In Other Databases

ChEBI CHEBI:70959
ChemSpider 491986
PubChem 565965
KEGG C01152