| SpectraBase Spectrum ID |
BVmeUZZgKqc |
| Name |
Urocanate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
104-98-3 |
| ChEBI ID |
30817 |
| Comments |
100 mM Urocanate - Aldrich 85,979-6; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM 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 - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley. |
| Formula |
C6 H6 N2 O2 |
| IUPAC Name |
3-(3H-imidazol-4-yl)prop-2-enoic acid; 3-(3H-imidazol-4-yl)acrylic acid |
| InChI |
InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10) |
| InChIKey |
LOIYMIARKYCTBW-UHFFFAOYSA-N |
| KEGG Compound ID |
C00785 |
| KEGG Pathways |
PATH: map00340 Histidine metabolism |
| PubChem Compound ID |
1178 |
| SMILES |
C1=C(NC=N1)C=CC(=O)O |
| Source File Reference |
bmse000279 |
