1-Methylhistidine

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Systematic / IUPAC Name: 2-Amino-3-(1-methylimidazol-4-yl)propanoic acid

ID: Reference125

Other Names: L-Histidine, 1-methyl-;
1-Methyl-DL-histidine;
2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid

Formula: C7H11N3O2

Class: Endogenous Metabolites

Spectral Data

1-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 299
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2014 1:34:07 PM
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Identificators

InChI InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChI Key BRMWTNUJHUMWMS-UHFFFAOYSA-N
Canonical SMILES CN1C=C(N=C1)CC(C(=O)O)N
CAS 332809
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Other Names L-Histidine, 1-methyl-;
1-Methyl-DL-histidine;
2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid

In Other Databases

ChEMBL CHEMBL45557
Wikipedia Histidine
KEGG C01152
ChemSpider 312567
PubChem 352019
ChEBI CHEBI:70958