| SpectraBase Spectrum ID |
DvUIO8Ol650 |
| Name |
1-Methyl-L-histidine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
332-80-9 |
| Comments |
100 mM N(pai)-Methyl-L-histidine - Fluka 67520
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C7 H11 N3 O2 |
| IUPAC Name |
(2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid; (2S)-2-amino-3-(1-methylimidazol-4-yl)propionic acid; (2S)-2-amino-3-(1-methyl-4-imidazolyl)propanoic acid |
| 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)/t6-/m1/s1 |
| InChIKey |
BRMWTNUJHUMWMS-ZCFIWIBFSA-N |
| PubChem Compound ID |
92105 |
| SMILES |
CN1C=C(N=C1)CC(C(=O)O)N; CN1C=C(N=C1)C[C@@H](C(=O)O)N |
| Source File Reference |
bmse000449 |
