| SpectraBase Spectrum ID |
7jbw4Cz7ULV |
| Name |
L-Gulonolactone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1128-23-0 |
| Comments |
100 mM L-Gulonolactone - vendor: Nitritional Biochemical; 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 |
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one; (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one |
| InChI |
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 |
| InChIKey |
SXZYCXMUPBBULW-SKNVOMKLSA-N |
| KEGG Compound ID |
C01040 |
| KEGG Pathways |
PATH: map00053 Ascorbate and aldarate metabolism |
| PubChem Compound ID |
439373 |
| SMILES |
C(C(C1C(C(C(=O)O1)O)O)O)O |
| Source File Reference |
bmse000235 |
