| SpectraBase Spectrum ID |
An5ObmjzFAe |
| Name |
6-Phosphogluconic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2464-13-3
921-62-0 |
| ChEBI ID |
16863 |
| Comments |
100 mM 6-Phosphogluconic acid trisodium salt - vendor: Sigma 044K7004; 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 |
C6H13O10P |
| IUPAC Name |
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid |
| InChI |
InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 |
| InChIKey |
BIRSGZKFKXLSJQ-SQOUGZDYSA-N |
| KEGG Compound ID |
C00345 |
| KEGG Pathways |
PATH: map00030 Pentose phosphate pathway |
| PubChem Compound ID |
91493 |
| SMILES |
C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O |
| Source File Reference |
bmse000198 |
