| SpectraBase Spectrum ID |
1vMKYGeMe2r |
| Name |
2,3-Diphospho-D-glyceric acid |
| Acquisition Mode |
SIMULTANEOUS |
| ChEBI ID |
17720 |
| Comments |
100 mM 2,3-diphospho-D-glyceric acid pentasodium salt - vendor: Sigma d5764; 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 |
C3H8O10P2 |
| IUPAC Name |
(2R)-2,3-diphosphonooxypropanoic acid |
| InChI |
InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 |
| InChIKey |
XOHUEYCVLUUEJJ-UWTATZPHSA-N |
| KEGG Compound ID |
C01159 |
| KEGG Pathways |
PATH: map00010 Glycolysis / Gluconeogenesis |
| PubChem Compound ID |
186004 |
| SMILES |
C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O |
| Source File Reference |
bmse000002 |
