| SpectraBase Spectrum ID |
DvqBfQ8sTg7 |
| Name |
myo-Inositol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
53319-35-0
87-89-8 |
| ChEBI ID |
17268 |
| Comments |
100 mM myo-inositol - vendor: Sigma i5125; 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 |
cyclohexane-1,2,3,4,5,6-hexol |
| InChI |
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| InChIKey |
CDAISMWEOUEBRE-GPIVLXJGSA-N |
| KEGG Compound ID |
C00137 |
| KEGG Pathways |
PATH: map00031 Inositol metabolism
PATH: map00052 Galactose metabolism
PATH: map00521 Streptomycin biosynthesis
PATH: map00562 Inositol phosphate metabolism
PATH: map04070 Phosphatidylinositol signaling system |
| PubChem Compound ID |
892 |
| SMILES |
C1(C(C(C(C(C1O)O)O)O)O)O |
| Source File Reference |
bmse000102 |
