| SpectraBase Spectrum ID |
A4QwofDv80d |
| Name |
Dihydroxyacetone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
96-26-4 |
| ChEBI ID |
16016 |
| Comments |
100 mM Dihydroxyacetone - vendor: MP Biomedicals 100602; 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 © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C3H6O3 |
| IUPAC Name |
1,3-dihydroxypropan-2-one |
| InChI |
InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 |
| InChIKey |
RXKJFZQQPQGTFL-UHFFFAOYSA-N |
| KEGG Compound ID |
C00184 |
| KEGG Pathways |
PATH: map00561 Glycerolipid metabolism
PATH: map00680 Methane metabolism |
| PubChem Compound ID |
670 |
| SMILES |
C(C(=O)CO)O |
| Source File Reference |
bmse000144 |
