| SpectraBase Spectrum ID |
7AQkgl1edDF |
| Name |
Allantoin |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
58308-55-7; 37305-69-4; 97-59-6 |
| ChEBI ID |
15676 |
| Comments |
Saturated Allantoin - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate Cytocide sodium azide ; Reference DSS; pH 7.4, temperature 298 K; Data source: Madison Metabolomics Consortium |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C4 H6 N4 O3 |
| IUPAC Name |
(2,5-dioxoimidazolidin-4-yl)urea; (2,5-diketoimidazolidin-4-yl)urea; (2,5-dioxo-4-imidazolidinyl)urea |
| InChI |
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) |
| InChIKey |
POJWUDADGALRAB-UHFFFAOYSA-N |
| KEGG Compound ID |
C01551 |
| PubChem Compound ID |
204 |
| SMILES |
C1(C(=O)NC(=O)N1)NC(=O)N |
| Source File Reference |
bmse000437 |
