Metabolomics Structure Database

 
MW REGNO: 71675
Common Name:1-Methylhistidine
Systematic Name:(2S)-2-ammonio-3-(1-methylimidazol-4-yl)propionate
RefMet Name:1-Methylhistidine
Synonyms:1-Methy-L-lhistidine [PubChem Synonyms]
Exact Mass:
169.0851 (neutral)    Calculate m/z:
Formula:C7H11N3O2
InChIKey:BRMWTNUJHUMWMS-LURJTMIESA-N
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:C[n]1cc(C[C@@H](N)C(O)=O)[n]c1 |&1:5|
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:92105
HMDB ID:HMDB0000001
KEGG ID:C01152
NP-MRD ID(NMR):NP0000539
EPA CompTox DB:DTXCID00219392

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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