| SpectraBase Spectrum ID |
EcXjSQad55 |
| Name |
alpha-D-Glucose 1,6-bisphosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
10139-18-1
28472-37-9
29315-85-3 |
| ChEBI ID |
17680 |
| Comments |
100 mM alpha_D_Glucose_1,6_bisphosphate - vendor: ?; 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 H14 O12 P2 |
| IUPAC Name |
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]methoxyphosphonic acid; [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid |
| InChI |
InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey |
RWHOZGRAXYWRNX-VFUOTHLCSA-N |
| KEGG Compound ID |
C00660 |
| PubChem Compound ID |
82400 |
| SMILES |
C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O |
| Source File Reference |
bmse000087 |
