| SpectraBase Spectrum ID |
EgeI4Y6Iv6n |
| Name |
D-Sorbitol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
15060-73-8
36134-87-9
3959-53-3
50-70-4
63800-20-4
75398-79-7
8013-15-8
8014-89-9
8036-93-9
8042-39-5
8045-74-7
8046-05-7
98201-93-5 |
| ChEBI ID |
17924 |
| Comments |
100 mM D_sorbitol - vendor: Fisher s459-500; 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 |
C6H14O6 |
| IUPAC Name |
(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| InChI |
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 |
| InChIKey |
FBPFZTCFMRRESA-JGWLITMVSA-N |
| KEGG Compound ID |
C00794 |
| KEGG Pathways |
PATH: map00051 Fructose and mannose metabolism
PATH: map00052 Galactose metabolism
PATH: map02060 Phosphotransferase system (PTS) |
| PubChem Compound ID |
5780 |
| SMILES |
C(C(C(C(C(CO)O)O)O)O)O |
| Source File Reference |
bmse000115 |
