| SpectraBase Spectrum ID |
AYVlLp08h3f |
| Name |
L-Ascorbate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
129940-97-2
134-03-2
14536-17-5
30208-61-8
50-81-7
50976-75-5
56172-55-5
56533-05-2
57304-74-2
57606-40-3
89924-69-6 |
| ChEBI ID |
17208 |
| Comments |
100 mM (+)-Sodium L-ascorbate - vendor: Sigma; 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 |
C6 H8 O6 |
| IUPAC Name |
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one |
| InChI |
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m0/s1 |
| InChIKey |
TYQCGQRIZGCHNB-JLAZNSOCSA-N |
| KEGG Compound ID |
C00072 |
| KEGG Pathways |
PATH: map00053 Ascorbate and aldarate metabolism
PATH: map02060 Phosphotransferase system (PTS) |
| PubChem Compound ID |
5785 |
| SMILES |
C(C(C1C(=O)C(=C(O1)O)O)O)O |
| Source File Reference |
bmse000182 |
