| SpectraBase Spectrum ID |
9vHBaMaunDU |
| Name |
D-Glucono-1,5-lactone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1335-57-5
4253-68-3
71033-49-3
90-80-2 |
| ChEBI ID |
16217 |
| Comments |
100 mM D-Glucono-1,5-lactone - vendor: Sigma G4750; 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 |
C6H10O6 |
| IUPAC Name |
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-one; (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one; (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one |
| InChI |
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 |
| InChIKey |
PHOQVHQSTUBQQK-SQOUGZDYSA-N |
| KEGG Compound ID |
C00198 |
| KEGG Pathways |
PATH: map00030 Pentose phosphate pathway |
| PubChem Compound ID |
7027 |
| SMILES |
C(C1C(C(C(C(=O)O1)O)O)O)O |
| Source File Reference |
bmse000230 |
