| SpectraBase Spectrum ID |
3fQ4mHwheqe |
| Name |
Phosphoenolpyruvic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
73-89-2 |
| ChEBI ID |
26055 |
| Comments |
100 mM phosphoenolpyruvic acid monopotassium salt - vendor: Sigma 860077; 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 |
C3H4O6P |
| IUPAC Name |
2-(hydroxy-oxido-phosphoryl)oxyacrylic acid; 2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid |
| InChI |
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) |
| InChIKey |
DTBNBXWJWCWCIK-UHFFFAOYSA-N |
| KEGG Compound ID |
C00074 |
| KEGG Pathways |
PATH: map00010 Glycolysis / Gluconeogenesis
PATH: map00020 Citrate cycle (TCA cycle)
PATH: map00400 Phenylalanine, tyrosine and tryptophan biosynthesis
PATH: map00440 Aminophosphonate metabolism
PATH: map00620 Pyruvate metabolism
PATH: map00710 Carbon fixation
PATH: map00720 Reductive carboxylate cycle (CO2 fixation)
PATH: map02060 Phosphotransferase system (PTS) |
| PubChem Compound ID |
6315 |
| SMILES |
C=C(C(=O)O)OP(=O)(O)[O-] |
| Source File Reference |
bmse000107 |
