| SpectraBase Spectrum ID |
C0sVkHg0AE4 |
| Name |
alpha-D-Glucose-1-phosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
27133-73-9
28875-57-2
29698-82-6
3616-38-4
50319-10-3
56401-20-8
59-56-3
6736-77-2
68901-12-2
6997-09-7
7279-37-0 |
| Comments |
100 mM alpha-d-glucose-1-phosphate disodium salt - vendor: Calzyme 8 1 34; 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 |
C6H13O9P |
| IUPAC Name |
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid; [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid; [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid |
| InChI |
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey |
HXXFSFRBOHSIMQ-VFUOTHLCSA-N |
| KEGG Compound ID |
C11450 |
| PubChem Compound ID |
65533 |
| SMILES |
C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O |
| Source File Reference |
bmse000086 |
