| SpectraBase Spectrum ID |
4KgjBEpAem3 |
| Name |
D-Psicose |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
551-68-8 |
| ChEBI ID |
27605 |
| Comments |
100 mM d-psicose - vendor: Sigma p8043; 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 |
C6H12O6 |
| IUPAC Name |
(3R,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol; (3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol |
| InChI |
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1 |
| InChIKey |
LKDRXBCSQODPBY-JDJSBBGDSA-N |
| KEGG Compound ID |
C06468 |
| PubChem Compound ID |
441036 |
| SMILES |
C1C(C(C(C(O1)(CO)O)O)O)O |
| Source File Reference |
bmse000020 |
