| SpectraBase Spectrum ID |
4rnc79YipwC |
| Name |
L-Histidinol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1596-64-1 |
| Comments |
100 mM L-Histidinol - Sigma-Aldrich 015K0963
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 |
C6 H13 Cl2 N3 O |
| IUPAC Name |
(2S)-2-amino-3-(3H-imidazol-4-yl)propan-1-ol dihydrochloride |
| InChI |
InChI=1S/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H/t5-;;/m0../s1 |
| InChIKey |
FRCAFNBBXRWXQA-XRIGFGBMSA-N |
| PubChem Compound ID |
197743 |
| SMILES |
C1=C(NC=N1)CC(CO)N.Cl.Cl; C1=C(NC=N1)C[C@@H](CO)N.Cl.Cl |
| Source File Reference |
bmse000448 |
