| SpectraBase Spectrum ID |
LKmeIfj0Q3s |
| Name |
Gluconic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
10101-21-0
10361-31-6
13005-35-1
14906-97-9
22830-45-1
299-27-4
35087-77-5
35984-19-1
3632-91-5
526-95-4
527-07-1
60007-93-4
60816-70-8
6485-39-8
82139-35-3 |
| ChEBI ID |
4157 |
| Comments |
100 mM gluconic acid sodium salt - vendor: Acros 181390050; 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 |
C6H12O7 |
| IUPAC Name |
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid |
| InChI |
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 |
| InChIKey |
RGHNJXZEOKUKBD-SQOUGZDYSA-N |
| KEGG Compound ID |
C00257 |
| KEGG Pathways |
PATH: map00030 Pentose phosphate pathway |
| PubChem Compound ID |
10960 |
| SMILES |
C(C(C(C(C(C(=O)O)O)O)O)O)O |
| Source File Reference |
bmse000084 |
