| SpectraBase Spectrum ID |
66NQuhwO1gi |
| Name |
L-Histidine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
150-35-6
155304-24-8
35479-49-3
35558-59-9
45955-20-2
54166-13-1
7006-35-1
71-00-1 |
| ChEBI ID |
15971 |
| Comments |
100 mM L-Histidine monohydrochloride monohydrate - vendor: Sigma h8125; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6H9N3O2 |
| IUPAC Name |
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid |
| InChI |
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
| InChIKey |
HNDVDQJCIGZPNO-YFKPBYRVSA-N |
| KEGG Compound ID |
C00135 |
| KEGG Pathways |
PATH: map00340 Histidine metabolism
PATH: map00410 beta-Alanine metabolism
PATH: map00970 Aminoacyl-tRNA biosynthesis
PATH: map02010 ABC transporters û General |
| PubChem Compound ID |
6274 |
| SMILES |
C1=C(NC=N1)CC(C(=O)O)N |
| Source File Reference |
bmse000039 |
